N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide

C18H15N3O2S — CID 9453681

IUPACN-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)c1ccc2ncsc2c1
InChIInChI=1S/C18H15N3O2S/c22-17(11-5-8-15-16(9-11)24-10-19-15)21-14-4-2-1-3-13(14)18(23)20-12-6-7-12/h1-5,8-10,12H,6-7H2,(H,20,23)(H,21,22)
InChIKeyGPYPDUJZFIWVKX-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.44
Rot. Bonds4

About N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide

N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 9453681) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide
PubChem CID9453681
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)c1ccc2ncsc2c1
InChIInChI=1S/C18H15N3O2S/c22-17(11-5-8-15-16(9-11)24-10-19-15)21-14-4-2-1-3-13(14)18(23)20-12-6-7-12/h1-5,8-10,12H,6-7H2,(H,20,23)(H,21,22)
InChIKeyGPYPDUJZFIWVKX-UHFFFAOYSA-N
XLogP3.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 16548320
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 2597355
N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
CID 18337213
N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119477630
2-[(4-bromobenzoyl)amino]-N-cyclopropylbenzamide
CID 7729400
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 17434299
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119427664
N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 26905962
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 34282702
2-benzamido-N-piperidin-4-ylbenzamide
CID 119388442

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide (CID 9453681) is N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide is O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc2ncsc2c1.
What is the InChIKey of N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is GPYPDUJZFIWVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-17(11-5-8-15-16(9-11)24-10-19-15)21-14-4-2-1-3-13(14)18(23)20-12-6-7-12/h1-5,8-10,12H,6-7H2,(H,20,23)(H,21,22).
What are the key properties of N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide?
N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 9453681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).