N-(1,3-benzothiazol-2-yl)-2-phenylacetamide

C15H12N2OS — CID 591403

IUPACN-(1,3-benzothiazol-2-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc2ccccc2s1
InChIInChI=1S/C15H12N2OS/c18-14(10-11-6-2-1-3-7-11)17-15-16-12-8-4-5-9-13(12)19-15/h1-9H,10H2,(H,16,17,18)
InChIKeyPJCPNGRABRSWOG-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.48
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-phenylacetamide

N-(1,3-benzothiazol-2-yl)-2-phenylacetamide (PubChem CID 591403) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-phenylacetamide
PubChem CID591403
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc2ccccc2s1
InChIInChI=1S/C15H12N2OS/c18-14(10-11-6-2-1-3-7-11)17-15-16-12-8-4-5-9-13(12)19-15/h1-9H,10H2,(H,16,17,18)
InChIKeyPJCPNGRABRSWOG-UHFFFAOYSA-N
XLogP3.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

LH-846
CID 851474
Benzamide, N-2-benzothiazolyl-4-nitro-
CID 215271
Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
Anilinobenzothiazole
CID 230981
N-Benzothiazol-2-yl-benzamide
CID 689669
1-(1,3-Benzothiazol-2-yl)-3-phenylurea
CID 726342
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
2-(Acetoacetamido)benzothiazole
CID 20820
3(2H)-Pyridazinone, 4,5-dihydro-2-(2-benzothiazolyl)-6-phenyl-
CID 364042
S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide
CID 722343
Cyclohexanecarboxamide, N-(6-nitro-2-benzothiazolyl)-
CID 739510

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-phenylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-phenylacetamide (CID 591403) is N-(1,3-benzothiazol-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-phenylacetamide is O=C(Cc1ccccc1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-phenylacetamide?
The InChIKey is PJCPNGRABRSWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c18-14(10-11-6-2-1-3-7-11)17-15-16-12-8-4-5-9-13(12)19-15/h1-9H,10H2,(H,16,17,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-phenylacetamide?
N-(1,3-benzothiazol-2-yl)-2-phenylacetamide has a molecular weight of 268.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 591403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).