N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C24H24N6OS2 — CID 90545664

IUPACN-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1
InChIInChI=1S/C24H24N6OS2/c1-17-22(33-24(27-17)19-8-5-13-32-19)23(31)28-20-14-21(26-16-25-20)30-11-9-29(10-12-30)15-18-6-3-2-4-7-18/h2-8,13-14,16H,9-12,15H2,1H3,(H,25,26,28,31)
InChIKeyIJLQAPOAFYMODA-UHFFFAOYSA-N
MW476.63 g/mol
LogP4.54
Rot. Bonds6

About N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 90545664) has the molecular formula C24H24N6OS2 and a molecular weight of 476.63 g/mol. Its IUPAC name is N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID90545664
Molecular FormulaC24H24N6OS2
Molecular Weight476.63 g/mol
Exact Mass476.15
IUPAC NameN-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1
InChIInChI=1S/C24H24N6OS2/c1-17-22(33-24(27-17)19-8-5-13-32-19)23(31)28-20-14-21(26-16-25-20)30-11-9-29(10-12-30)15-18-6-3-2-4-7-18/h2-8,13-14,16H,9-12,15H2,1H3,(H,25,26,28,31)
InChIKeyIJLQAPOAFYMODA-UHFFFAOYSA-N
XLogP4.54
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 71794931
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea
CID 71795031
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide
CID 71795002
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-(3-methylphenyl)acetamide
CID 90545602
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-(2-methylphenyl)urea
CID 71795030
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-1,3-benzothiazole-6-carboxamide
CID 90545699
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoxaline-6-carboxamide
CID 90545791
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 90545579
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90545806
4-methyl-N-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 35505361
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-(3-fluoro-4-methylphenyl)urea
CID 90545857
N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90544954

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 90545664) is N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccs2)sc1C(=O)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1.
What is the InChIKey of N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is IJLQAPOAFYMODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6OS2/c1-17-22(33-24(27-17)19-8-5-13-32-19)23(31)28-20-14-21(26-16-25-20)30-11-9-29(10-12-30)15-18-6-3-2-4-7-18/h2-8,13-14,16H,9-12,15H2,1H3,(H,25,26,28,31).
What are the key properties of N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 476.63 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90545664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).