N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide

C21H20ClN3O3S — CID 84550912

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1csc(NC(=O)CCc2ccccc2)n1
InChIInChI=1S/C21H20ClN3O3S/c1-13-10-16(18(28-2)11-15(13)22)23-20(27)17-12-29-21(24-17)25-19(26)9-8-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyVFIYZADBMCYAIC-UHFFFAOYSA-N
MW429.93 g/mol
LogP4.94
Rot. Bonds7

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide (PubChem CID 84550912) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
PubChem CID84550912
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1csc(NC(=O)CCc2ccccc2)n1
InChIInChI=1S/C21H20ClN3O3S/c1-13-10-16(18(28-2)11-15(13)22)23-20(27)17-12-29-21(24-17)25-19(26)9-8-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyVFIYZADBMCYAIC-UHFFFAOYSA-N
XLogP4.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220940
N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 16915593
N-(2-chloro-4-nitrophenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 84550916
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 4799937
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
N-(2-methyl-3-nitrophenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 84551093
3-(3-chloro-4-methylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 18267524
ethyl 4-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550864
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2553139
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19194885
methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550709
2-(2-aminoethyl)-N-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637933

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide (CID 84550912) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1csc(NC(=O)CCc2ccccc2)n1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is VFIYZADBMCYAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c1-13-10-16(18(28-2)11-15(13)22)23-20(27)17-12-29-21(24-17)25-19(26)9-8-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 429.93 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84550912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).