2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide

C19H15N3OS3 — CID 26197642

IUPAC2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccccc2CSc2nc3ccccc3s2)s1
InChIInChI=1S/C19H15N3OS3/c1-12-10-20-18(25-12)22-17(23)14-7-3-2-6-13(14)11-24-19-21-15-8-4-5-9-16(15)26-19/h2-10H,11H2,1H3,(H,20,22,23)
InChIKeyASSQOGYSILDXHU-UHFFFAOYSA-N
MW397.55 g/mol
LogP5.61
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide

2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 26197642) has the molecular formula C19H15N3OS3 and a molecular weight of 397.55 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID26197642
Molecular FormulaC19H15N3OS3
Molecular Weight397.55 g/mol
Exact Mass397.04
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccccc2CSc2nc3ccccc3s2)s1
InChIInChI=1S/C19H15N3OS3/c1-12-10-20-18(25-12)22-17(23)14-7-3-2-6-13(14)11-24-19-21-15-8-4-5-9-16(15)26-19/h2-10H,11H2,1H3,(H,20,22,23)
InChIKeyASSQOGYSILDXHU-UHFFFAOYSA-N
XLogP5.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.55
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(1,3-thiazol-2-yl)benzamide
CID 8762764
2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 26909147
[2-(methylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate
CID 7803309
N-(1,3-benzothiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 8882245
N-(4-methyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 26362259
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 26209944
[(1R)-1-cyanoethyl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate
CID 7803319
methyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-methoxybenzoate
CID 46184555
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 803477
[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate
CID 8980676
N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 4813517
[2-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]methanamine
CID 43530095

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 26197642) is 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide is Cc1cnc(NC(=O)c2ccccc2CSc2nc3ccccc3s2)s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ASSQOGYSILDXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS3/c1-12-10-20-18(25-12)22-17(23)14-7-3-2-6-13(14)11-24-19-21-15-8-4-5-9-16(15)26-19/h2-10H,11H2,1H3,(H,20,22,23).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 397.55 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 26197642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).