N-(2-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide

C19H25ClN4OS — CID 155522918

IUPACN-(2-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc(N3CCN(C)CC3)sc2C(C)C)c(Cl)c1
InChIInChI=1S/C19H25ClN4OS/c1-12(2)17-16(18(25)21-15-6-5-13(3)11-14(15)20)22-19(26-17)24-9-7-23(4)8-10-24/h5-6,11-12H,7-10H2,1-4H3,(H,21,25)
InChIKeyROKCGZNZGCBGTN-UHFFFAOYSA-N
MW392.96 g/mol
LogP4.23
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide

N-(2-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 155522918) has the molecular formula C19H25ClN4OS and a molecular weight of 392.96 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID155522918
Molecular FormulaC19H25ClN4OS
Molecular Weight392.96 g/mol
Exact Mass392.14
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc(N3CCN(C)CC3)sc2C(C)C)c(Cl)c1
InChIInChI=1S/C19H25ClN4OS/c1-12(2)17-16(18(25)21-15-6-5-13(3)11-14(15)20)22-19(26-17)24-9-7-23(4)8-10-24/h5-6,11-12H,7-10H2,1-4H3,(H,21,25)
InChIKeyROKCGZNZGCBGTN-UHFFFAOYSA-N
XLogP4.23
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.96
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (CID 155522918) is N-(2-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is Cc1ccc(NC(=O)c2nc(N3CCN(C)CC3)sc2C(C)C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ROKCGZNZGCBGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4OS/c1-12(2)17-16(18(25)21-15-6-5-13(3)11-14(15)20)22-19(26-17)24-9-7-23(4)8-10-24/h5-6,11-12H,7-10H2,1-4H3,(H,21,25).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
N-(2-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 392.96 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155522918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).