N-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

C15H14Cl2N2OS — CID 113202979

IUPACN-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2c(s1)CC(C(=O)Nc1cc(Cl)ccc1Cl)CC2
InChIInChI=1S/C15H14Cl2N2OS/c1-8-18-12-5-2-9(6-14(12)21-8)15(20)19-13-7-10(16)3-4-11(13)17/h3-4,7,9H,2,5-6H2,1H3,(H,19,20)
InChIKeyCOPGSHVJXCMGDS-UHFFFAOYSA-N
MW341.26 g/mol
LogP4.50
Rot. Bonds2

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

N-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (PubChem CID 113202979) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
PubChem CID113202979
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC NameN-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2c(s1)CC(C(=O)Nc1cc(Cl)ccc1Cl)CC2
InChIInChI=1S/C15H14Cl2N2OS/c1-8-18-12-5-2-9(6-14(12)21-8)15(20)19-13-7-10(16)3-4-11(13)17/h3-4,7,9H,2,5-6H2,1H3,(H,19,20)
InChIKeyCOPGSHVJXCMGDS-UHFFFAOYSA-N
XLogP4.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680779
2-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680806
N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640075
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680812
N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203215
(6R)-N-(2-chloro-4-methylphenyl)-2-(4-propanoylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 95109441
(6S)-2-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 95109374
N-(5-chloro-2-hydroxyphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640483
(6S)-2-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 95109298
(6R)-N-(4-chloro-3-methylphenyl)-2-(4-propanoylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 95109543
(6S)-2-(4-acetylpiperazin-1-yl)-N-(2-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 95109368
N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680631

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (CID 113202979) is N-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is Cc1nc2c(s1)CC(C(=O)Nc1cc(Cl)ccc1Cl)CC2.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The InChIKey is COPGSHVJXCMGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS/c1-8-18-12-5-2-9(6-14(12)21-8)15(20)19-13-7-10(16)3-4-11(13)17/h3-4,7,9H,2,5-6H2,1H3,(H,19,20).
What are the key properties of N-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
N-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide has a molecular weight of 341.26 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 113202979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).