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

C19H16Cl2N4O3S — CID 16897513

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)nc1C
InChIInChI=1S/C19H16Cl2N4O3S/c1-10-16(17(26)24-14-9-12(21)6-7-15(14)28-2)29-19(22-10)25-18(27)23-13-5-3-4-11(20)8-13/h3-9H,1-2H3,(H,24,26)(H2,22,23,25,27)
InChIKeyWSZWLLLEIFXMMJ-UHFFFAOYSA-N
MW451.34 g/mol
LogP5.66
Rot. Bonds5

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

N-(5-chloro-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16897513) has the molecular formula C19H16Cl2N4O3S and a molecular weight of 451.34 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16897513
Molecular FormulaC19H16Cl2N4O3S
Molecular Weight451.34 g/mol
Exact Mass450.03
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)nc1C
InChIInChI=1S/C19H16Cl2N4O3S/c1-10-16(17(26)24-14-9-12(21)6-7-15(14)28-2)29-19(22-10)25-18(27)23-13-5-3-4-11(20)8-13/h3-9H,1-2H3,(H,24,26)(H2,22,23,25,27)
InChIKeyWSZWLLLEIFXMMJ-UHFFFAOYSA-N
XLogP5.66
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.34
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16897658
2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897465
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897941
2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897898
2-[(3-chlorophenyl)carbamoylamino]-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16897410
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948902
N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897620
N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
N-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110694390
2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 16897523
N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468182

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 16897513) is N-(5-chloro-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(Cl)cc1NC(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)nc1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WSZWLLLEIFXMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O3S/c1-10-16(17(26)24-14-9-12(21)6-7-15(14)28-2)29-19(22-10)25-18(27)23-13-5-3-4-11(20)8-13/h3-9H,1-2H3,(H,24,26)(H2,22,23,25,27).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 451.34 g/mol, XLogP of 5.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16897513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).