N-methyl-1,3-benzothiazole-6-carboxamide

C9H8N2OS — CID 22103788

IUPACN-methyl-1,3-benzothiazole-6-carboxamide
SMILESCNC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C9H8N2OS/c1-10-9(12)6-2-3-7-8(4-6)13-5-11-7/h2-5H,1H3,(H,10,12)
InChIKeyKSBMLBBPMOTYRO-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.66
Rot. Bonds1

About N-methyl-1,3-benzothiazole-6-carboxamide

N-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 22103788) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is N-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID22103788
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC NameN-methyl-1,3-benzothiazole-6-carboxamide
SMILESCNC(=O)c1ccc2ncsc2c1
InChIInChI=1S/C9H8N2OS/c1-10-9(12)6-2-3-7-8(4-6)13-5-11-7/h2-5H,1H3,(H,10,12)
InChIKeyKSBMLBBPMOTYRO-UHFFFAOYSA-N
XLogP1.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 18109210
(2-Amino-benzothiazol-6-yl)-piperidin-1-yl-methanone
CID 769187
2-Amino-1,3-benzothiazole-6-carboxamide
CID 606347
N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712463
N-(4-chlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712465
N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712469
2-Methyl-benzothiazole-6-carboxylic acid (4-acetyl-phenyl)-amide
CID 1085966
N-(5-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 2089599
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 2089669
N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092996
N-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide
CID 2093795
N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide
CID 2096442

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-methyl-1,3-benzothiazole-6-carboxamide (CID 22103788) is N-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-methyl-1,3-benzothiazole-6-carboxamide is CNC(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is KSBMLBBPMOTYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-10-9(12)6-2-3-7-8(4-6)13-5-11-7/h2-5H,1H3,(H,10,12).
What are the key properties of N-methyl-1,3-benzothiazole-6-carboxamide?
N-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 192.24 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 22103788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).