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

C15H12N2OS2 — CID 959118

IUPACN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
SMILESCSc1nc2ccc(NC(=O)c3ccccc3)cc2s1
InChIInChI=1S/C15H12N2OS2/c1-19-15-17-12-8-7-11(9-13(12)20-15)16-14(18)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,18)
InChIKeyXCNRTFOFVUJVTG-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.27
Rot. Bonds3

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

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 959118) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID959118
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
SMILESCSc1nc2ccc(NC(=O)c3ccccc3)cc2s1
InChIInChI=1S/C15H12N2OS2/c1-19-15-17-12-8-7-11(9-13(12)20-15)16-14(18)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,18)
InChIKeyXCNRTFOFVUJVTG-UHFFFAOYSA-N
XLogP4.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 43952428
N-[1-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-1-oxopropan-2-yl]benzamide
CID 24636449
5-iodo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 79692948
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 959132
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 1040773
N-[2-(2-methylpropylsulfanyl)-1,3-benzothiazol-6-yl]benzamide
CID 937136
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide
CID 31896611
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2161628
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 23965445
N-(2-amino-1,3-benzothiazol-6-yl)benzamide
CID 823541
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1H-indazole-3-carboxamide
CID 26850847
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26116653

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide (CID 959118) is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide is CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1.
What is the InChIKey of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is XCNRTFOFVUJVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS2/c1-19-15-17-12-8-7-11(9-13(12)20-15)16-14(18)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,18).
What are the key properties of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide?
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 300.41 g/mol, XLogP of 4.27, 3 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)benzamide is sourced from PubChem (CID 959118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).