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

C18H13Cl3N2OS — CID 24948936

IUPAC2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl3N2OS/c1-10-16(25-18(23-10)12-3-5-13(19)6-4-12)17(24)22-9-11-2-7-14(20)15(21)8-11/h2-8H,9H2,1H3,(H,22,24)
InChIKeyNVLAPBMLOFNXHA-UHFFFAOYSA-N
MW411.74 g/mol
LogP6.01
Rot. Bonds4

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

2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24948936) has the molecular formula C18H13Cl3N2OS and a molecular weight of 411.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24948936
Molecular FormulaC18H13Cl3N2OS
Molecular Weight411.74 g/mol
Exact Mass409.98
IUPAC Name2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl3N2OS/c1-10-16(25-18(23-10)12-3-5-13(19)6-4-12)17(24)22-9-11-2-7-14(20)15(21)8-11/h2-8H,9H2,1H3,(H,22,24)
InChIKeyNVLAPBMLOFNXHA-UHFFFAOYSA-N
XLogP6.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.74
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18279656
2-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24512542
2-(4-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16602270
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084095
2-(4-chlorophenyl)-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide
CID 119432753
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 29134816
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24512904
N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138190
N-[(4-acetamidophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 24628898
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 70605698
2-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24512647

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 24948936) is 2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NVLAPBMLOFNXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2OS/c1-10-16(25-18(23-10)12-3-5-13(19)6-4-12)17(24)22-9-11-2-7-14(20)15(21)8-11/h2-8H,9H2,1H3,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 411.74 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24948936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).