N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide

C20H16ClN5O3S — CID 36771940

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3-n3cncn3)cs2)c1OC
InChIInChI=1S/C20H16ClN5O3S/c1-28-17-5-3-4-13(18(17)29-2)20-25-15(9-30-20)19(27)24-14-8-12(21)6-7-16(14)26-11-22-10-23-26/h3-11H,1-2H3,(H,24,27)
InChIKeyMAPIMCOEPNZYPY-UHFFFAOYSA-N
MW441.90 g/mol
LogP4.31
Rot. Bonds6

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 36771940) has the molecular formula C20H16ClN5O3S and a molecular weight of 441.90 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID36771940
Molecular FormulaC20H16ClN5O3S
Molecular Weight441.90 g/mol
Exact Mass441.07
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3-n3cncn3)cs2)c1OC
InChIInChI=1S/C20H16ClN5O3S/c1-28-17-5-3-4-13(18(17)29-2)20-25-15(9-30-20)19(27)24-14-8-12(21)6-7-16(14)26-11-22-10-23-26/h3-11H,1-2H3,(H,24,27)
InChIKeyMAPIMCOEPNZYPY-UHFFFAOYSA-N
XLogP4.31
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.90
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 36751297
2-(2,3-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 24671897
2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 31527228
2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24671896
5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide
CID 18090214
N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110650167
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 8794626
2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 146154055
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(difluoromethoxy)benzamide
CID 18084497
2-(2,3-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 24672068
5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 31527286
N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 36716067

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 36771940) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide is COc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3-n3cncn3)cs2)c1OC.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MAPIMCOEPNZYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O3S/c1-28-17-5-3-4-13(18(17)29-2)20-25-15(9-30-20)19(27)24-14-8-12(21)6-7-16(14)26-11-22-10-23-26/h3-11H,1-2H3,(H,24,27).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 441.90 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 36771940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).