2-[(4-chlorobenzoyl)amino]-N,N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

C19H22ClN3O2S — CID 16945366

IUPAC2-[(4-chlorobenzoyl)amino]-N,N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
SMILESCCN(CC)C(=O)C1CCCc2sc(NC(=O)c3ccc(Cl)cc3)nc21
InChIInChI=1S/C19H22ClN3O2S/c1-3-23(4-2)18(25)14-6-5-7-15-16(14)21-19(26-15)22-17(24)12-8-10-13(20)11-9-12/h8-11,14H,3-7H2,1-2H3,(H,21,22,24)
InChIKeyXGHKZQOWDRCMQQ-UHFFFAOYSA-N
MW391.92 g/mol
LogP4.34
Rot. Bonds5

About 2-[(4-chlorobenzoyl)amino]-N,N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

2-[(4-chlorobenzoyl)amino]-N,N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide (PubChem CID 16945366) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-N,N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-N,N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
PubChem CID16945366
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name2-[(4-chlorobenzoyl)amino]-N,N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
SMILESCCN(CC)C(=O)C1CCCc2sc(NC(=O)c3ccc(Cl)cc3)nc21
InChIInChI=1S/C19H22ClN3O2S/c1-3-23(4-2)18(25)14-6-5-7-15-16(14)21-19(26-15)22-17(24)12-8-10-13(20)11-9-12/h8-11,14H,3-7H2,1-2H3,(H,21,22,24)
InChIKeyXGHKZQOWDRCMQQ-UHFFFAOYSA-N
XLogP4.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chlorobenzoyl)amino]-N,N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide with MolForge

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Related Compounds

2-[(4-chlorobenzoyl)amino]-N-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945394
N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945479
N-(1,3-benzothiazol-2-yl)-2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945484
N-[2-(4-chlorophenyl)ethyl]-2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945657
2-[(4-chlorobenzoyl)amino]-N-(3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945465
4-chloro-N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 16945509
N-butyl-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945709
2-[(4-chlorobenzoyl)amino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947459
N-(5-chloro-2-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945634
2-[(4-chlorobenzoyl)amino]-N-phenyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947395
2-[(4-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945730
N-(3,4-difluorophenyl)-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945775

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-N,N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-N,N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide (CID 16945366) is 2-[(4-chlorobenzoyl)amino]-N,N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-N,N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-N,N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide is CCN(CC)C(=O)C1CCCc2sc(NC(=O)c3ccc(Cl)cc3)nc21.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-N,N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
The InChIKey is XGHKZQOWDRCMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-3-23(4-2)18(25)14-6-5-7-15-16(14)21-19(26-15)22-17(24)12-8-10-13(20)11-9-12/h8-11,14H,3-7H2,1-2H3,(H,21,22,24).
What are the key properties of 2-[(4-chlorobenzoyl)amino]-N,N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide?
2-[(4-chlorobenzoyl)amino]-N,N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide has a molecular weight of 391.92 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-N,N-diethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide is sourced from PubChem (CID 16945366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).