1-[4-[6-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone

C24H30N8OS — CID 135286306

IUPAC1-[4-[6-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(NC5CCCC5)nc4C)n3)nc2)CC1
InChIInChI=1S/C24H30N8OS/c1-16-22(34-24(27-16)28-18-5-3-4-6-18)20-9-10-25-23(29-20)30-21-8-7-19(15-26-21)32-13-11-31(12-14-32)17(2)33/h7-10,15,18H,3-6,11-14H2,1-2H3,(H,27,28)(H,25,26,29,30)
InChIKeyONRJNVZFOSHIQI-UHFFFAOYSA-N
MW478.63 g/mol
LogP4.07
Rot. Bonds6

About 1-[4-[6-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone

1-[4-[6-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 135286306) has the molecular formula C24H30N8OS and a molecular weight of 478.63 g/mol. Its IUPAC name is 1-[4-[6-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
PubChem CID135286306
Molecular FormulaC24H30N8OS
Molecular Weight478.63 g/mol
Exact Mass478.23
IUPAC Name1-[4-[6-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(NC5CCCC5)nc4C)n3)nc2)CC1
InChIInChI=1S/C24H30N8OS/c1-16-22(34-24(27-16)28-18-5-3-4-6-18)20-9-10-25-23(29-20)30-21-8-7-19(15-26-21)32-13-11-31(12-14-32)17(2)33/h7-10,15,18H,3-6,11-14H2,1-2H3,(H,27,28)(H,25,26,29,30)
InChIKeyONRJNVZFOSHIQI-UHFFFAOYSA-N
XLogP4.07
TPSA99.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.63
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-[6-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone 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

Ulecaciclib
CID 126535127
[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-yl]-(4-piperazin-1-yl-phenyl)-amine
CID 10022738
[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 10091185
N-(5-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 46872297
N-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 126534285
N-cyclopentyl-5-[2-[[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 126534409
N-cyclopentyl-5-[2-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 126535157
N-cyclopentyl-5-[2-[[5-(1,4-diazepan-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 135286395
N-cyclopentyl-5-[5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 135296339
N-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)acetamide
CID 1117212
[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-piperazin-1-yl-phenyl)-amine
CID 10090332
N-{3-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-benzyl}-acetamide
CID 10361685

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone (CID 135286306) is 1-[4-[6-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(NC5CCCC5)nc4C)n3)nc2)CC1.
What is the InChIKey of 1-[4-[6-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is ONRJNVZFOSHIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8OS/c1-16-22(34-24(27-16)28-18-5-3-4-6-18)20-9-10-25-23(29-20)30-21-8-7-19(15-26-21)32-13-11-31(12-14-32)17(2)33/h7-10,15,18H,3-6,11-14H2,1-2H3,(H,27,28)(H,25,26,29,30).
What are the key properties of 1-[4-[6-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[6-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 478.63 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 135286306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).