N-[(3-carbamoylphenyl)methyl]-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

C20H18ClN3O2S — CID 55920535

IUPACN-[(3-carbamoylphenyl)methyl]-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C20H18ClN3O2S/c1-12-17(27-19(23-12)14-6-8-16(21)9-7-14)20(26)24(2)11-13-4-3-5-15(10-13)18(22)25/h3-10H,11H2,1-2H3,(H2,22,25)
InChIKeyJVXFMNCHWAZSLC-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.14
Rot. Bonds5

About N-[(3-carbamoylphenyl)methyl]-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

N-[(3-carbamoylphenyl)methyl]-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 55920535) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID55920535
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC NameN-[(3-carbamoylphenyl)methyl]-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C20H18ClN3O2S/c1-12-17(27-19(23-12)14-6-8-16(21)9-7-14)20(26)24(2)11-13-4-3-5-15(10-13)18(22)25/h3-10H,11H2,1-2H3,(H2,22,25)
InChIKeyJVXFMNCHWAZSLC-UHFFFAOYSA-N
XLogP4.14
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N,4-dimethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 39996104
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119362912
N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080833
N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 119583997
N-ethyl-N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 134058026
N-[(3-carbamoylphenyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55872207
N-[(5-chloro-2-methoxyphenyl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 41437625
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 32917799
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24512904
2-(3-chlorophenyl)-N,4-dimethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,3-thiazole-5-carboxamide
CID 97259892
2-[3-[(dimethylamino)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39161045
2-(3-chloro-4-fluorophenyl)-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 59338384

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 55920535) is N-[(3-carbamoylphenyl)methyl]-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)Cc1cccc(C(N)=O)c1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is JVXFMNCHWAZSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-12-17(27-19(23-12)14-6-8-16(21)9-7-14)20(26)24(2)11-13-4-3-5-15(10-13)18(22)25/h3-10H,11H2,1-2H3,(H2,22,25).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[(3-carbamoylphenyl)methyl]-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 399.90 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55920535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).