N-cyclopentyl-4-[2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine

C24H27F3N6S — CID 91463737

IUPACN-cyclopentyl-4-[2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCN1CCN(c2nc(-c3cccc(C(F)(F)F)c3)c(-c3ccnc(NC4CCCC4)n3)s2)CC1
InChIInChI=1S/C24H27F3N6S/c1-32-11-13-33(14-12-32)23-31-20(16-5-4-6-17(15-16)24(25,26)27)21(34-23)19-9-10-28-22(30-19)29-18-7-2-3-8-18/h4-6,9-10,15,18H,2-3,7-8,11-14H2,1H3,(H,28,29,30)
InChIKeyKKUQNXMDGSMPRE-UHFFFAOYSA-N
MW488.58 g/mol
LogP5.39
Rot. Bonds5

About N-cyclopentyl-4-[2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine

N-cyclopentyl-4-[2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 91463737) has the molecular formula C24H27F3N6S and a molecular weight of 488.58 g/mol. Its IUPAC name is N-cyclopentyl-4-[2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-[2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID91463737
Molecular FormulaC24H27F3N6S
Molecular Weight488.58 g/mol
Exact Mass488.20
IUPAC NameN-cyclopentyl-4-[2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCN1CCN(c2nc(-c3cccc(C(F)(F)F)c3)c(-c3ccnc(NC4CCCC4)n3)s2)CC1
InChIInChI=1S/C24H27F3N6S/c1-32-11-13-33(14-12-32)23-31-20(16-5-4-6-17(15-16)24(25,26)27)21(34-23)19-9-10-28-22(30-19)29-18-7-2-3-8-18/h4-6,9-10,15,18H,2-3,7-8,11-14H2,1H3,(H,28,29,30)
InChIKeyKKUQNXMDGSMPRE-UHFFFAOYSA-N
XLogP5.39
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 91274271
5-(2-methylsulfinylpyrimidin-4-yl)-2-piperidin-1-yl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 15602938
2-(4-methylpiperidin-1-yl)-5-(2-methylsulfanylpyrimidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 15604008
4-[2-methoxy-3-methyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-(1-methylsulfanylpiperidin-4-yl)pyrimidin-2-amine
CID 142976428
N-[3-fluoro-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]phenyl]-4-[4-(3-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 58377202
4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole
CID 15603904
4-(3-chlorophenyl)-5-(2-methylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole
CID 143376763
4-[4-(4-chloro-2-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-cyclopropylpyrimidin-2-amine
CID 142732897
2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899975
4-(2-fluoro-4-pyridinyl)-6-(1-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]pyridazine
CID 22948755
N-cyclopropyl-4-[4-(2,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 142732900
4-[6-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]-N-benzylpyrimidin-2-amine
CID 142068756

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-[2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 91463737) is N-cyclopentyl-4-[2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-[2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-[2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine is CN1CCN(c2nc(-c3cccc(C(F)(F)F)c3)c(-c3ccnc(NC4CCCC4)n3)s2)CC1.
What is the InChIKey of N-cyclopentyl-4-[2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is KKUQNXMDGSMPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N6S/c1-32-11-13-33(14-12-32)23-31-20(16-5-4-6-17(15-16)24(25,26)27)21(34-23)19-9-10-28-22(30-19)29-18-7-2-3-8-18/h4-6,9-10,15,18H,2-3,7-8,11-14H2,1H3,(H,28,29,30).
What are the key properties of N-cyclopentyl-4-[2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine?
N-cyclopentyl-4-[2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 488.58 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 91463737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).