4-methyl-2-(4-methylphenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide

C23H28N6OS — CID 91616759

IUPAC4-methyl-2-(4-methylphenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)NC(C)CN3CCN(c4ncccn4)CC3)s2)cc1
InChIInChI=1S/C23H28N6OS/c1-16-5-7-19(8-6-16)22-27-18(3)20(31-22)21(30)26-17(2)15-28-11-13-29(14-12-28)23-24-9-4-10-25-23/h4-10,17H,11-15H2,1-3H3,(H,26,30)
InChIKeyGYTLUUOVMGNCBW-UHFFFAOYSA-N
MW436.59 g/mol
LogP3.16
Rot. Bonds6

About 4-methyl-2-(4-methylphenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide

4-methyl-2-(4-methylphenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 91616759) has the molecular formula C23H28N6OS and a molecular weight of 436.59 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID91616759
Molecular FormulaC23H28N6OS
Molecular Weight436.59 g/mol
Exact Mass436.20
IUPAC Name4-methyl-2-(4-methylphenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)NC(C)CN3CCN(c4ncccn4)CC3)s2)cc1
InChIInChI=1S/C23H28N6OS/c1-16-5-7-19(8-6-16)22-27-18(3)20(31-22)21(30)26-17(2)15-28-11-13-29(14-12-28)23-24-9-4-10-25-23/h4-10,17H,11-15H2,1-3H3,(H,26,30)
InChIKeyGYTLUUOVMGNCBW-UHFFFAOYSA-N
XLogP3.16
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylphenyl)-5-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxamide
CID 91288145
4-methyl-2-phenyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
CID 91967888
5-(2-chlorophenyl)-1-(4-methylphenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]pyrazole-3-carboxamide
CID 69178937
4-methyl-2-pyrimidin-2-yl-N-[(2R)-1-thiophen-3-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 97313604
1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 82215753
4-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 39161129
4-methyl-N-[(2S)-pentan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 27261975
2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
CID 45154156
(2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363922
4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(4-methylphenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide (CID 91616759) is 4-methyl-2-(4-methylphenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)NC(C)CN3CCN(c4ncccn4)CC3)s2)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is GYTLUUOVMGNCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6OS/c1-16-5-7-19(8-6-16)22-27-18(3)20(31-22)21(30)26-17(2)15-28-11-13-29(14-12-28)23-24-9-4-10-25-23/h4-10,17H,11-15H2,1-3H3,(H,26,30).
What are the key properties of 4-methyl-2-(4-methylphenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide?
4-methyl-2-(4-methylphenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 436.59 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91616759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).