N-(2-chloro-6-methylphenyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide

C24H26ClN5O2S — CID 141479217

IUPACN-(2-chloro-6-methylphenyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)s1
InChIInChI=1S/C24H26ClN5O2S/c1-16-4-3-5-19(25)21(16)27-23(32)20-14-26-24(33-20)28-22(31)18-8-6-17(7-9-18)15-30-12-10-29(2)11-13-30/h3-9,14H,10-13,15H2,1-2H3,(H,27,32)(H,26,28,31)
InChIKeyKLNQHOMCWQMHMR-UHFFFAOYSA-N
MW484.03 g/mol
LogP4.36
Rot. Bonds6

About N-(2-chloro-6-methylphenyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 141479217) has the molecular formula C24H26ClN5O2S and a molecular weight of 484.03 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID141479217
Molecular FormulaC24H26ClN5O2S
Molecular Weight484.03 g/mol
Exact Mass483.15
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)s1
InChIInChI=1S/C24H26ClN5O2S/c1-16-4-3-5-19(25)21(16)27-23(32)20-14-26-24(33-20)28-22(31)18-8-6-17(7-9-18)15-30-12-10-29(2)11-13-30/h3-9,14H,10-13,15H2,1-2H3,(H,27,32)(H,26,28,31)
InChIKeyKLNQHOMCWQMHMR-UHFFFAOYSA-N
XLogP4.36
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.03
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide (CID 141479217) is N-(2-chloro-6-methylphenyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)s1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is KLNQHOMCWQMHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2S/c1-16-4-3-5-19(25)21(16)27-23(32)20-14-26-24(33-20)28-22(31)18-8-6-17(7-9-18)15-30-12-10-29(2)11-13-30/h3-9,14H,10-13,15H2,1-2H3,(H,27,32)(H,26,28,31).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 484.03 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141479217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).