N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

C15H14ClN5O2S — CID 46980739

IUPACN-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)n1
InChIInChI=1S/C15H14ClN5O2S/c1-9-17-13(23-21-9)7-6-12(22)18-15-20-19-14(24-15)8-10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3,(H,18,20,22)
InChIKeyANXCMSYXMJDHQA-UHFFFAOYSA-N
MW363.83 g/mol
LogP3.05
Rot. Bonds6

About N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide

N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 46980739) has the molecular formula C15H14ClN5O2S and a molecular weight of 363.83 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID46980739
Molecular FormulaC15H14ClN5O2S
Molecular Weight363.83 g/mol
Exact Mass363.06
IUPAC NameN-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)n1
InChIInChI=1S/C15H14ClN5O2S/c1-9-17-13(23-21-9)7-6-12(22)18-15-20-19-14(24-15)8-10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3,(H,18,20,22)
InChIKeyANXCMSYXMJDHQA-UHFFFAOYSA-N
XLogP3.05
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 78863035
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17344209
3-[(4-chlorophenyl)sulfonylamino]-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 17225716
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide
CID 55818368
3-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 71296489
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-ethylphenyl)propanamide
CID 18272399
2-chloro-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 170911206
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 19173020
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 1188917
3-[(4-bromophenyl)sulfonylamino]-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 17192467
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 603022
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3968281

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (CID 46980739) is N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is Cc1noc(CCC(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)n1.
What is the InChIKey of N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is ANXCMSYXMJDHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2S/c1-9-17-13(23-21-9)7-6-12(22)18-15-20-19-14(24-15)8-10-2-4-11(16)5-3-10/h2-5H,6-8H2,1H3,(H,18,20,22).
What are the key properties of N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 363.83 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 46980739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).