N-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C16H9ClN4OS2 — CID 71114641

IUPACN-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc2ncsc2c1)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C16H9ClN4OS2/c17-14-13(24-16(21-14)9-2-1-5-18-7-9)15(22)20-10-3-4-11-12(6-10)23-8-19-11/h1-8H,(H,20,22)
InChIKeyYPQLDVYUFHRIIQ-UHFFFAOYSA-N
MW372.86 g/mol
LogP4.72
Rot. Bonds3

About N-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

N-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 71114641) has the molecular formula C16H9ClN4OS2 and a molecular weight of 372.86 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID71114641
Molecular FormulaC16H9ClN4OS2
Molecular Weight372.86 g/mol
Exact Mass371.99
IUPAC NameN-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc2ncsc2c1)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C16H9ClN4OS2/c17-14-13(24-16(21-14)9-2-1-5-18-7-9)15(22)20-10-3-4-11-12(6-10)23-8-19-11/h1-8H,(H,20,22)
InChIKeyYPQLDVYUFHRIIQ-UHFFFAOYSA-N
XLogP4.72
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 90086251
4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
CID 86713748
4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71114674
N-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide
CID 113223158
N-(1,2-benzothiazol-5-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 100769084
N-butan-2-yl-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71111592
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazole-4-carboxamide
CID 89445686
N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide
CID 107801394
4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71111886
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide
CID 89445696
N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide
CID 103893877
4-chloro-2-pyridin-3-yl-N-[1-(2,4,6-trichlorophenoxy)propan-2-yl]-1,3-thiazole-5-carboxamide
CID 90086309

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 71114641) is N-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is O=C(Nc1ccc2ncsc2c1)c1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is YPQLDVYUFHRIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN4OS2/c17-14-13(24-16(21-14)9-2-1-5-18-7-9)15(22)20-10-3-4-11-12(6-10)23-8-19-11/h1-8H,(H,20,22).
What are the key properties of N-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
N-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 372.86 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71114641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).