5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine;N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;molecular fluorine;hydrochloride

C56H67Cl3F132N10O5S2 — CID 159234469

IUPAC5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine;N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;molecular fluorine;hydrochloride
SMILESCC1CCN(Cc2ccc(N3CC(C(=O)Nc4nnc(CCc5ccc(Cl)cc5)s4)CC3=O)cc2)CC1.CC1CCN(Cc2ccc(N3CC(C(=O)O)CC3=O)cc2)CC1.Cl.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.Nc1nnc(CCc2ccc(Cl)cc2)s1
InChIInChI=1S/C28H32ClN5O2S.C18H24N2O3.C10H10ClN3S.ClH.66F2/c1-19-12-14-33(15-13-19)17-21-4-9-24(10-5-21)34-18-22(16-26(34)35)27(36)30-28-32-31-25(37-28)11-6-20-2-7-23(29)8-3-20;1-13-6-8-19(9-7-13)11-14-2-4-16(5-3-14)20-12-15(18(22)23)10-17(20)21;11-8-4-1-7(2-5-8)3-6-9-13-14-10(12)15-9;;66*1-2/h2-5,7-10,19,22H,6,11-18H2,1H3,(H,30,32,36);2-5,13,15H,6-12H2,1H3,(H,22,23);1-2,4-5H,3,6H2,(H2,12,14);1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyLKVMIVZPNBBHNY-UHFFFAOYSA-N
MW3638.45 g/mol
LogP66.00
Rot. Bonds15

About 5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine;N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;molecular fluorine;hydrochloride

5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine;N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;molecular fluorine;hydrochloride (PubChem CID 159234469) has the molecular formula C56H67Cl3F132N10O5S2 and a molecular weight of 3638.45 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine;N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;molecular fluorine;hydrochloride.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine;N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;molecular fluorine;hydrochloride
PubChem CID159234469
Molecular FormulaC56H67Cl3F132N10O5S2
Molecular Weight3638.45 g/mol
Exact Mass3636.17
IUPAC Name5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine;N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;molecular fluorine;hydrochloride
SMILESCC1CCN(Cc2ccc(N3CC(C(=O)Nc4nnc(CCc5ccc(Cl)cc5)s4)CC3=O)cc2)CC1.CC1CCN(Cc2ccc(N3CC(C(=O)O)CC3=O)cc2)CC1.Cl.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.Nc1nnc(CCc2ccc(Cl)cc2)s1
InChIInChI=1S/C28H32ClN5O2S.C18H24N2O3.C10H10ClN3S.ClH.66F2/c1-19-12-14-33(15-13-19)17-21-4-9-24(10-5-21)34-18-22(16-26(34)35)27(36)30-28-32-31-25(37-28)11-6-20-2-7-23(29)8-3-20;1-13-6-8-19(9-7-13)11-14-2-4-16(5-3-14)20-12-15(18(22)23)10-17(20)21;11-8-4-1-7(2-5-8)3-6-9-13-14-10(12)15-9;;66*1-2/h2-5,7-10,19,22H,6,11-18H2,1H3,(H,30,32,36);2-5,13,15H,6-12H2,1H3,(H,22,23);1-2,4-5H,3,6H2,(H2,12,14);1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyLKVMIVZPNBBHNY-UHFFFAOYSA-N
XLogP66.00
TPSA191.08 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003638.45
LogP ≤ 566.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine;N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;molecular fluorine;hydrochloride with MolForge

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Related Compounds

(3S)-N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122445895
N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-5-oxo-1-[4-(piperazin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide;methane
CID 161234104
5-[2-(4-chlorophenyl)ethyl]-N-[1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 122445903
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082058
1-(4-ethylphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 17082119
N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidin-3-yl]-5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 139538614
1-(3-chloro-4-fluorophenyl)-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 17225567
1-(3,5-dimethylphenyl)-5-oxo-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 17120940
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497606
N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 134197727
1-(3-methylphenyl)-5-oxo-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 17120694
1-[(4-fluorophenyl)methyl]-5-oxo-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 42655677

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine;N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;molecular fluorine;hydrochloride?
The IUPAC name of 5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine;N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;molecular fluorine;hydrochloride (CID 159234469) is 5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine;N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;molecular fluorine;hydrochloride.
What is the SMILES notation for 5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine;N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;molecular fluorine;hydrochloride?
The canonical SMILES for 5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine;N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;molecular fluorine;hydrochloride is CC1CCN(Cc2ccc(N3CC(C(=O)Nc4nnc(CCc5ccc(Cl)cc5)s4)CC3=O)cc2)CC1.CC1CCN(Cc2ccc(N3CC(C(=O)O)CC3=O)cc2)CC1.Cl.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.Nc1nnc(CCc2ccc(Cl)cc2)s1.
What is the InChIKey of 5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine;N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;molecular fluorine;hydrochloride?
The InChIKey is LKVMIVZPNBBHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN5O2S.C18H24N2O3.C10H10ClN3S.ClH.66F2/c1-19-12-14-33(15-13-19)17-21-4-9-24(10-5-21)34-18-22(16-26(34)35)27(36)30-28-32-31-25(37-28)11-6-20-2-7-23(29)8-3-20;1-13-6-8-19(9-7-13)11-14-2-4-16(5-3-14)20-12-15(18(22)23)10-17(20)21;11-8-4-1-7(2-5-8)3-6-9-13-14-10(12)15-9;;66*1-2/h2-5,7-10,19,22H,6,11-18H2,1H3,(H,30,32,36);2-5,13,15H,6-12H2,1H3,(H,22,23);1-2,4-5H,3,6H2,(H2,12,14);1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine;N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;molecular fluorine;hydrochloride?
5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine;N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;molecular fluorine;hydrochloride has a molecular weight of 3638.45 g/mol, XLogP of 66.00, 15 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine;N-[5-[2-(4-chlorophenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide;1-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid;molecular fluorine;hydrochloride is sourced from PubChem (CID 159234469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).