N-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide

C13H12ClIN2OS — CID 49325357

IUPACN-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2ccc(I)cc2Cl)s1
InChIInChI=1S/C13H12ClIN2OS/c1-3-11-16-7(2)12(19-11)13(18)17-10-5-4-8(15)6-9(10)14/h4-6H,3H2,1-2H3,(H,17,18)
InChIKeyIDAZQYYDDAZYPR-UHFFFAOYSA-N
MW406.68 g/mol
LogP4.52
Rot. Bonds3

About N-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide

N-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 49325357) has the molecular formula C13H12ClIN2OS and a molecular weight of 406.68 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID49325357
Molecular FormulaC13H12ClIN2OS
Molecular Weight406.68 g/mol
Exact Mass405.94
IUPAC NameN-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2ccc(I)cc2Cl)s1
InChIInChI=1S/C13H12ClIN2OS/c1-3-11-16-7(2)12(19-11)13(18)17-10-5-4-8(15)6-9(10)14/h4-6H,3H2,1-2H3,(H,17,18)
InChIKeyIDAZQYYDDAZYPR-UHFFFAOYSA-N
XLogP4.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.68
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[5-chloro-2-(dimethylamino)phenyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 131923297
N-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide
CID 103614219
N-(2,4-dichlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 19242134
4-amino-N-(2-chloro-4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 107605093
N-(2-chloro-4-methylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16616440
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
N-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 47183189
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-5-iodobenzoic acid
CID 45345743
2-ethyl-4-methyl-N-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 49321700
N-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 120569197
ethyl 2-(2-chloro-4-iodoanilino)-2-oxoacetate
CID 107605946
N-(2-chloro-4-iodophenyl)-4-methoxybenzamide
CID 1370705

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide (CID 49325357) is N-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)Nc2ccc(I)cc2Cl)s1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is IDAZQYYDDAZYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClIN2OS/c1-3-11-16-7(2)12(19-11)13(18)17-10-5-4-8(15)6-9(10)14/h4-6H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
N-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 406.68 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49325357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).