N-(5-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide

C12H9N3OS2 — CID 2089599

IUPACN-(5-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cnc(NC(=O)c2ccc3ncsc3c2)s1
InChIInChI=1S/C12H9N3OS2/c1-7-5-13-12(18-7)15-11(16)8-2-3-9-10(4-8)17-6-14-9/h2-6H,1H3,(H,13,15,16)
InChIKeyQNPFXHHZBJPNFT-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.31
Rot. Bonds2

About N-(5-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 2089599) has the molecular formula C12H9N3OS2 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID2089599
Molecular FormulaC12H9N3OS2
Molecular Weight275.36 g/mol
Exact Mass275.02
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cnc(NC(=O)c2ccc3ncsc3c2)s1
InChIInChI=1S/C12H9N3OS2/c1-7-5-13-12(18-7)15-11(16)8-2-3-9-10(4-8)17-6-14-9/h2-6H,1H3,(H,13,15,16)
InChIKeyQNPFXHHZBJPNFT-UHFFFAOYSA-N
XLogP3.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-(pyridin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 18109210
N-Benzothiazol-2-yl-benzamide
CID 689669
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
CID 8892653
N-(6-methylbenzo[d]thiazol-2-yl)thiophene-2-carboxamide
CID 739615
N-{6-[2-(Methylsulfanyl)pyrimidin-4-Yl]-1,3-Benzothiazol-2-Yl}acetamide
CID 25183031
N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 44481151
N-[Benzo[d]thiazol-2-yl]nicotinamide
CID 571618
N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 953496
N-(1,3-Benzothiazol-2-YL)-2-fluorobenzamide
CID 717947
(2-Amino-benzothiazol-6-yl)-piperidin-1-yl-methanone
CID 769187

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide (CID 2089599) is N-(5-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide is Cc1cnc(NC(=O)c2ccc3ncsc3c2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is QNPFXHHZBJPNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS2/c1-7-5-13-12(18-7)15-11(16)8-2-3-9-10(4-8)17-6-14-9/h2-6H,1H3,(H,13,15,16).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 2089599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).