N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide

C16H14N2OS2 — CID 959132

IUPACN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
SMILESCSc1nc2ccc(NC(=O)Cc3ccccc3)cc2s1
InChIInChI=1S/C16H14N2OS2/c1-20-16-18-13-8-7-12(10-14(13)21-16)17-15(19)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyNUSMFWOUCXFLPE-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.20
Rot. Bonds4

About N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide (PubChem CID 959132) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
PubChem CID959132
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
SMILESCSc1nc2ccc(NC(=O)Cc3ccccc3)cc2s1
InChIInChI=1S/C16H14N2OS2/c1-20-16-18-13-8-7-12(10-14(13)21-16)17-15(19)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyNUSMFWOUCXFLPE-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 959118
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-phenoxypropanamide
CID 4781570
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
CID 43952398
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2161628
3-oxo-N-[6-[(2-phenylacetyl)amino]-1,3-benzothiazol-2-yl]butanamide
CID 57257022
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide
CID 47411212
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 1040773
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-2-phenylacetamide
CID 5085616
ethyl 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxobutanoate
CID 26850848
3-(1H-benzimidazol-2-yl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide
CID 34035103
N-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]benzamide
CID 24636449

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide?
The IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide (CID 959132) is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide.
What is the SMILES notation for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide?
The canonical SMILES for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide is CSc1nc2ccc(NC(=O)Cc3ccccc3)cc2s1.
What is the InChIKey of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide?
The InChIKey is NUSMFWOUCXFLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-20-16-18-13-8-7-12(10-14(13)21-16)17-15(19)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,19).
What are the key properties of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide?
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide has a molecular weight of 314.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide is sourced from PubChem (CID 959132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).