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

C15H11ClN4OS — CID 797659

IUPACN-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccnc1
InChIInChI=1S/C15H11ClN4OS/c16-12-5-3-10(4-6-12)8-13-19-20-15(22-13)18-14(21)11-2-1-7-17-9-11/h1-7,9H,8H2,(H,18,20,21)
InChIKeyMLPLWMTVUPEGPD-UHFFFAOYSA-N
MW330.80 g/mol
LogP3.43
Rot. Bonds4

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

N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (PubChem CID 797659) has the molecular formula C15H11ClN4OS and a molecular weight of 330.80 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
PubChem CID797659
Molecular FormulaC15H11ClN4OS
Molecular Weight330.80 g/mol
Exact Mass330.03
IUPAC NameN-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccnc1
InChIInChI=1S/C15H11ClN4OS/c16-12-5-3-10(4-6-12)8-13-19-20-15(22-13)18-14(21)11-2-1-7-17-9-11/h1-7,9H,8H2,(H,18,20,21)
InChIKeyMLPLWMTVUPEGPD-UHFFFAOYSA-N
XLogP3.43
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Pyridinecarboxamide, N-(4-(4-chlorophenyl)-2-thiazolyl)-
CID 684716
2-methyl-N-[(2E)-5-{2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl}-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
CID 6866332
N-(4-chlorobenzyl)-2-(pyridin-3-ylcarbonyl)hydrazinecarbothioamide
CID 697140
6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 2085604
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2558670
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 746692
2-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]nicotinamide
CID 1221234
N-(5-ethyl-1,3,4-thiadiazol-2-yl)nicotinamide
CID 1387083
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-pyridinecarboxamide
CID 1245352
N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 860498
2-chloro-N-(2-ethyl-2H-tetraazol-5-yl)nicotinamide
CID 953792
3-(4-chlorophenyl)-1-(3-pyridinylcarbonyl)-1H-1,2,4-triazol-5-amine
CID 971718

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (CID 797659) is N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccnc1.
What is the InChIKey of N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is MLPLWMTVUPEGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4OS/c16-12-5-3-10(4-6-12)8-13-19-20-15(22-13)18-14(21)11-2-1-7-17-9-11/h1-7,9H,8H2,(H,18,20,21).
What are the key properties of N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 330.80 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 797659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).