4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide

C8H6ClN3OS2 — CID 47255361

IUPAC4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1csc(NC(=O)c2scnc2Cl)n1
InChIInChI=1S/C8H6ClN3OS2/c1-4-2-14-8(11-4)12-7(13)5-6(9)10-3-15-5/h2-3H,1H3,(H,11,12,13)
InChIKeyLAUHGQYVXGHVFH-UHFFFAOYSA-N
MW259.74 g/mol
LogP2.81
Rot. Bonds2

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

4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 47255361) has the molecular formula C8H6ClN3OS2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID47255361
Molecular FormulaC8H6ClN3OS2
Molecular Weight259.74 g/mol
Exact Mass258.96
IUPAC Name4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1csc(NC(=O)c2scnc2Cl)n1
InChIInChI=1S/C8H6ClN3OS2/c1-4-2-14-8(11-4)12-7(13)5-6(9)10-3-15-5/h2-3H,1H3,(H,11,12,13)
InChIKeyLAUHGQYVXGHVFH-UHFFFAOYSA-N
XLogP2.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 110689621
5,6-dichloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 7959065
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 20719818
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxamide
CID 75489540
3-methyl-5-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-4-carboxamide
CID 35934960
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
3-amino-N-(4-methyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 18138823

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 47255361) is 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is Cc1csc(NC(=O)c2scnc2Cl)n1.
What is the InChIKey of 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is LAUHGQYVXGHVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3OS2/c1-4-2-14-8(11-4)12-7(13)5-6(9)10-3-15-5/h2-3H,1H3,(H,11,12,13).
What are the key properties of 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 259.74 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47255361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).