5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

C8H7ClN4OS2 — CID 80618520

IUPAC5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ncsc1CNC(=O)c1nnc(Cl)s1
InChIInChI=1S/C8H7ClN4OS2/c1-4-5(15-3-11-4)2-10-6(14)7-12-13-8(9)16-7/h3H,2H2,1H3,(H,10,14)
InChIKeyZDZHIBJVRDAVPW-UHFFFAOYSA-N
MW274.76 g/mol
LogP1.89
Rot. Bonds3

About 5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618520) has the molecular formula C8H7ClN4OS2 and a molecular weight of 274.76 g/mol. Its IUPAC name is 5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618520
Molecular FormulaC8H7ClN4OS2
Molecular Weight274.76 g/mol
Exact Mass273.97
IUPAC Name5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ncsc1CNC(=O)c1nnc(Cl)s1
InChIInChI=1S/C8H7ClN4OS2/c1-4-5(15-3-11-4)2-10-6(14)7-12-13-8(9)16-7/h3H,2H2,1H3,(H,10,14)
InChIKeyZDZHIBJVRDAVPW-UHFFFAOYSA-N
XLogP1.89
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.76
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113257504
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617679
5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113231985
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
CID 106853946
2,6-dichloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 113232226
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 112668776
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283968
2-amino-5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 114923513
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373273
2-bromo-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 55171879

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 80618520) is 5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is Cc1ncsc1CNC(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is ZDZHIBJVRDAVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4OS2/c1-4-5(15-3-11-4)2-10-6(14)7-12-13-8(9)16-7/h3H,2H2,1H3,(H,10,14).
What are the key properties of 5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 274.76 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).