N-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine

C23H27FN6S — CID 91274271

IUPACN-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESFc1cccc(-c2nc(N3CCNCC3)sc2-c2ccnc(NC3CCCCC3)n2)c1
InChIInChI=1S/C23H27FN6S/c24-17-6-4-5-16(15-17)20-21(31-23(29-20)30-13-11-25-12-14-30)19-9-10-26-22(28-19)27-18-7-2-1-3-8-18/h4-6,9-10,15,18,25H,1-3,7-8,11-14H2,(H,26,27,28)
InChIKeyBGEAZTUYWBNJHB-UHFFFAOYSA-N
MW438.58 g/mol
LogP4.56
Rot. Bonds5

About N-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine

N-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 91274271) has the molecular formula C23H27FN6S and a molecular weight of 438.58 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID91274271
Molecular FormulaC23H27FN6S
Molecular Weight438.58 g/mol
Exact Mass438.20
IUPAC NameN-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESFc1cccc(-c2nc(N3CCNCC3)sc2-c2ccnc(NC3CCCCC3)n2)c1
InChIInChI=1S/C23H27FN6S/c24-17-6-4-5-16(15-17)20-21(31-23(29-20)30-13-11-25-12-14-30)19-9-10-26-22(28-19)27-18-7-2-1-3-8-18/h4-6,9-10,15,18,25H,1-3,7-8,11-14H2,(H,26,27,28)
InChIKeyBGEAZTUYWBNJHB-UHFFFAOYSA-N
XLogP4.56
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperazin-1-yl-1,3-thiazole
CID 15604125
N-cyclopentyl-4-[2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 91463737
4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole
CID 15603904
3-(3-fluorophenyl)-1-methyl-N-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 177142704
4-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
CID 58775616
1-[4-(3-fluorophenyl)pyrimidin-2-yl]-1,4-diazepane
CID 103279542
4-(3-chlorophenyl)-5-(2-methylpyrimidin-4-yl)-2-piperidin-1-yl-1,3-thiazole
CID 143376763
2-(4-methylpiperidin-1-yl)-5-(2-methylsulfanylpyrimidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 15604008
N-cyclohexyl-4-(3-phenyl-6-piperazin-1-yl-2-pyridinyl)pyridin-2-amine
CID 58229715
5-(2-methylsulfinylpyrimidin-4-yl)-2-piperidin-1-yl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 15602938
5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974721
3-[5-[2-(piperidin-4-ylamino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]benzonitrile
CID 57433738

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 91274271) is N-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine is Fc1cccc(-c2nc(N3CCNCC3)sc2-c2ccnc(NC3CCCCC3)n2)c1.
What is the InChIKey of N-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is BGEAZTUYWBNJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6S/c24-17-6-4-5-16(15-17)20-21(31-23(29-20)30-13-11-25-12-14-30)19-9-10-26-22(28-19)27-18-7-2-1-3-8-18/h4-6,9-10,15,18,25H,1-3,7-8,11-14H2,(H,26,27,28).
What are the key properties of N-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
N-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 438.58 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 91274271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).