2-benzamido-N-(2-carbamoylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

C22H20N4O3S — CID 16945361

IUPAC2-benzamido-N-(2-carbamoylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)C1CCCc2sc(NC(=O)c3ccccc3)nc21
InChIInChI=1S/C22H20N4O3S/c23-19(27)14-9-4-5-11-16(14)24-21(29)15-10-6-12-17-18(15)25-22(30-17)26-20(28)13-7-2-1-3-8-13/h1-5,7-9,11,15H,6,10,12H2,(H2,23,27)(H,24,29)(H,25,26,28)
InChIKeyJCEVKYBJHKBLLJ-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.55
Rot. Bonds5

About 2-benzamido-N-(2-carbamoylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

2-benzamido-N-(2-carbamoylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide (PubChem CID 16945361) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-benzamido-N-(2-carbamoylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-(2-carbamoylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
PubChem CID16945361
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name2-benzamido-N-(2-carbamoylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)C1CCCc2sc(NC(=O)c3ccccc3)nc21
InChIInChI=1S/C22H20N4O3S/c23-19(27)14-9-4-5-11-16(14)24-21(29)15-10-6-12-17-18(15)25-22(30-17)26-20(28)13-7-2-1-3-8-13/h1-5,7-9,11,15H,6,10,12H2,(H2,23,27)(H,24,29)(H,25,26,28)
InChIKeyJCEVKYBJHKBLLJ-UHFFFAOYSA-N
XLogP3.55
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzamido-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945302
2-benzamido-N-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945328
(4R)-2-benzamido-N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 40926076
2-benzamido-N-(3-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945305
(4R)-2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 42281824
2-benzamido-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945259
ethyl 2-[2-[(2-benzamido-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 16945327
2-benzamido-N-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947134
N-(1,3-benzothiazol-2-yl)-2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945484
2-benzamido-N-ethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947039
N-benzyl-2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945565
N-(2,5-dimethoxyphenyl)-2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945625

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(2-carbamoylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
The IUPAC name of 2-benzamido-N-(2-carbamoylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide (CID 16945361) is 2-benzamido-N-(2-carbamoylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide.
What is the SMILES notation for 2-benzamido-N-(2-carbamoylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
The canonical SMILES for 2-benzamido-N-(2-carbamoylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide is NC(=O)c1ccccc1NC(=O)C1CCCc2sc(NC(=O)c3ccccc3)nc21.
What is the InChIKey of 2-benzamido-N-(2-carbamoylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
The InChIKey is JCEVKYBJHKBLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c23-19(27)14-9-4-5-11-16(14)24-21(29)15-10-6-12-17-18(15)25-22(30-17)26-20(28)13-7-2-1-3-8-13/h1-5,7-9,11,15H,6,10,12H2,(H2,23,27)(H,24,29)(H,25,26,28).
What are the key properties of 2-benzamido-N-(2-carbamoylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
2-benzamido-N-(2-carbamoylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(2-carbamoylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide is sourced from PubChem (CID 16945361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).