[4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone

C18H17ClN4O2S — CID 133468013

IUPAC[4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(Nc2nnc(-c3ccccc3Cl)s2)CC1
InChIInChI=1S/C18H17ClN4O2S/c19-14-5-2-1-4-13(14)16-21-22-18(26-16)20-12-7-9-23(10-8-12)17(24)15-6-3-11-25-15/h1-6,11-12H,7-10H2,(H,20,22)
InChIKeyKIESACSRKLVXQB-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.17
Rot. Bonds4

About [4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone

[4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 133468013) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is [4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID133468013
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC Name[4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(Nc2nnc(-c3ccccc3Cl)s2)CC1
InChIInChI=1S/C18H17ClN4O2S/c19-14-5-2-1-4-13(14)16-21-22-18(26-16)20-12-7-9-23(10-8-12)17(24)15-6-3-11-25-15/h1-6,11-12H,7-10H2,(H,20,22)
InChIKeyKIESACSRKLVXQB-UHFFFAOYSA-N
XLogP4.17
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27831080
[4-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133466368
2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
CID 46420508
3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 167769135
1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 16564266
[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone
CID 648228
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 26495651
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6497508
1-(furan-2-carbonyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 6463563
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone (CID 133468013) is [4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC(Nc2nnc(-c3ccccc3Cl)s2)CC1.
What is the InChIKey of [4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is KIESACSRKLVXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c19-14-5-2-1-4-13(14)16-21-22-18(26-16)20-12-7-9-23(10-8-12)17(24)15-6-3-11-25-15/h1-6,11-12H,7-10H2,(H,20,22).
What are the key properties of [4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone?
[4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 388.88 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 133468013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).