N-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide

C8H5ClN4O2S2 — CID 80619701

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2nnc(Cl)s2)n1
InChIInChI=1S/C8H5ClN4O2S2/c1-3(14)4-2-16-8(10-4)11-5(15)6-12-13-7(9)17-6/h2H,1H3,(H,10,11,15)
InChIKeyHAJBPNAJFGLYPR-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.10
Rot. Bonds3

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

N-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80619701) has the molecular formula C8H5ClN4O2S2 and a molecular weight of 288.74 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
PubChem CID80619701
Molecular FormulaC8H5ClN4O2S2
Molecular Weight288.74 g/mol
Exact Mass287.95
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2nnc(Cl)s2)n1
InChIInChI=1S/C8H5ClN4O2S2/c1-3(14)4-2-16-8(10-4)11-5(15)6-12-13-7(9)17-6/h2H,1H3,(H,10,11,15)
InChIKeyHAJBPNAJFGLYPR-UHFFFAOYSA-N
XLogP2.10
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80618012
5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617667
N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-5-methylbenzamide
CID 81003654
N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-3,5-dichlorobenzamide
CID 82832519
N-(4-acetyl-1,3-thiazol-2-yl)-5-ethylthiophene-2-carboxamide
CID 60716873
5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625727
N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 24555772
N-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide
CID 47450057
N-(4-acetyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 47350440
N-(4-acetyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 24555770
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide
CID 47143245
N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51262518

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide (CID 80619701) is N-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide is CC(=O)c1csc(NC(=O)c2nnc(Cl)s2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is HAJBPNAJFGLYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4O2S2/c1-3(14)4-2-16-8(10-4)11-5(15)6-12-13-7(9)17-6/h2H,1H3,(H,10,11,15).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 288.74 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80619701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).