N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide

C18H16ClN3O3S — CID 16955416

IUPACN-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)Nc3ccccc3Cl)cs2)cc1OC
InChIInChI=1S/C18H16ClN3O3S/c1-24-15-8-7-11(9-16(15)25-2)20-18-22-14(10-26-18)17(23)21-13-6-4-3-5-12(13)19/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyOBKYDVYCTWBQKW-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.81
Rot. Bonds6

About N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide

N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide (PubChem CID 16955416) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
PubChem CID16955416
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC NameN-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)Nc3ccccc3Cl)cs2)cc1OC
InChIInChI=1S/C18H16ClN3O3S/c1-24-15-8-7-11(9-16(15)25-2)20-18-22-14(10-26-18)17(23)21-13-6-4-3-5-12(13)19/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyOBKYDVYCTWBQKW-UHFFFAOYSA-N
XLogP4.81
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955450
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955474
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16821159
2-(3,4-dimethoxyanilino)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16955410
N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955471
N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955454
N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109244385
N-(2-chlorophenyl)-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109163378
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948687
N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954939
N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955295
N-(5-chloro-2-methoxyphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506025

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide (CID 16955416) is N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide is COc1ccc(Nc2nc(C(=O)Nc3ccccc3Cl)cs2)cc1OC.
What is the InChIKey of N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is OBKYDVYCTWBQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-24-15-8-7-11(9-16(15)25-2)20-18-22-14(10-26-18)17(23)21-13-6-4-3-5-12(13)19/h3-10H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 389.86 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16955416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).