(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

C24H29N7OS — CID 70702944

IUPAC(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(N3CCN(C)CC3)ncn2)CC1
InChIInChI=1S/C24H29N7OS/c1-18-22(33-23(27-18)19-6-4-3-5-7-19)24(32)31-14-12-30(13-15-31)21-16-20(25-17-26-21)29-10-8-28(2)9-11-29/h3-7,16-17H,8-15H2,1-2H3
InChIKeyVPBKAOGLSGXXQT-UHFFFAOYSA-N
MW463.61 g/mol
LogP2.62
Rot. Bonds4

About (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 70702944) has the molecular formula C24H29N7OS and a molecular weight of 463.61 g/mol. Its IUPAC name is (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID70702944
Molecular FormulaC24H29N7OS
Molecular Weight463.61 g/mol
Exact Mass463.22
IUPAC Name(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(N3CCN(C)CC3)ncn2)CC1
InChIInChI=1S/C24H29N7OS/c1-18-22(33-23(27-18)19-6-4-3-5-7-19)24(32)31-14-12-30(13-15-31)21-16-20(25-17-26-21)29-10-8-28(2)9-11-29/h3-7,16-17H,8-15H2,1-2H3
InChIKeyVPBKAOGLSGXXQT-UHFFFAOYSA-N
XLogP2.62
TPSA68.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343357
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060440
(3-methoxyphenyl)-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 55574894
[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31700706
[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 25354788
cyclopentyl-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 38391292
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 26721708
4-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid
CID 119250782
[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 42569652
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 46655050
[4-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-phenylmethanone
CID 46491157
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110417362

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 70702944) is (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(N3CCN(C)CC3)ncn2)CC1.
What is the InChIKey of (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is VPBKAOGLSGXXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7OS/c1-18-22(33-23(27-18)19-6-4-3-5-7-19)24(32)31-14-12-30(13-15-31)21-16-20(25-17-26-21)29-10-8-28(2)9-11-29/h3-7,16-17H,8-15H2,1-2H3.
What are the key properties of (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 463.61 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 70702944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).