N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

C11H8Cl2N2OS — CID 54102334

IUPACN-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H8Cl2N2OS/c1-6-10(17-5-14-6)11(16)15-9-3-2-7(12)4-8(9)13/h2-5H,1H3,(H,15,16)
InChIKeyPNUDCQJXKGHIGH-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.01
Rot. Bonds2

About N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 54102334) has the molecular formula C11H8Cl2N2OS and a molecular weight of 287.17 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID54102334
Molecular FormulaC11H8Cl2N2OS
Molecular Weight287.17 g/mol
Exact Mass285.97
IUPAC NameN-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H8Cl2N2OS/c1-6-10(17-5-14-6)11(16)15-9-3-2-7(12)4-8(9)13/h2-5H,1H3,(H,15,16)
InChIKeyPNUDCQJXKGHIGH-UHFFFAOYSA-N
XLogP4.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47208307
N-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18071701
N-(2,4-dichlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 19242134
N-(5-chloro-2-hydroxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 56791819
N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 28938704
N-(2-ethyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 99832381
N-(3-chloro-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 103892877
N-(3-amino-4-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 63062084
N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-3-carboxamide
CID 84554043
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 18071798
N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18072743

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 54102334) is N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is PNUDCQJXKGHIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2OS/c1-6-10(17-5-14-6)11(16)15-9-3-2-7(12)4-8(9)13/h2-5H,1H3,(H,15,16).
What are the key properties of N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 287.17 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 54102334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).