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

C18H17FN4S — CID 91454261

IUPACN-cyclopentyl-4-[4-(2-fluorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESFc1ccccc1-c1ncsc1-c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C18H17FN4S/c19-14-8-4-3-7-13(14)16-17(24-11-21-16)15-9-10-20-18(23-15)22-12-5-1-2-6-12/h3-4,7-12H,1-2,5-6H2,(H,20,22,23)
InChIKeyZCZXPHLQRVDXQB-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.76
Rot. Bonds4

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

N-cyclopentyl-4-[4-(2-fluorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 91454261) has the molecular formula C18H17FN4S and a molecular weight of 340.43 g/mol. Its IUPAC name is N-cyclopentyl-4-[4-(2-fluorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-[4-(2-fluorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID91454261
Molecular FormulaC18H17FN4S
Molecular Weight340.43 g/mol
Exact Mass340.12
IUPAC NameN-cyclopentyl-4-[4-(2-fluorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESFc1ccccc1-c1ncsc1-c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C18H17FN4S/c19-14-8-4-3-7-13(14)16-17(24-11-21-16)15-9-10-20-18(23-15)22-12-5-1-2-6-12/h3-4,7-12H,1-2,5-6H2,(H,20,22,23)
InChIKeyZCZXPHLQRVDXQB-UHFFFAOYSA-N
XLogP4.76
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-pyridin-2-ylpyrimidin-2-amine
CID 14347203
N-cyclopropyl-4-[4-(2-fluorophenyl)-2-heptan-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine;ethane;ethenoxyethane
CID 143376372
N'-[4-[[5-[2-(cyclohexylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]oxy]naphthalen-1-yl]-N,N-dimethylmethanimidamide
CID 176963623
N-[3-[2-tert-butyl-5-[2-(cyclohexylamino)pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfinamide
CID 172570356
2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112884943
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
4-[4-(4-chloro-2-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-cyclopropylpyrimidin-2-amine
CID 142732897
N-cyclopentyl-3-ethyl-6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 70832391
N-cyclohexyl-4-[4-(3-fluorophenyl)-2-piperazin-1-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 91274271
2-benzyl-6-N-cyclopentyl-4-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668439
4-[2-(4-amino-2-chloro-6-fluorophenoxy)-3-pyridinyl]-N-cyclohexylpyrimidin-2-amine
CID 146528074
N-cyclopropyl-5-(2-fluorophenyl)-1H-pyrazol-3-amine
CID 63049345

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[4-(2-fluorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-[4-(2-fluorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 91454261) is N-cyclopentyl-4-[4-(2-fluorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-[4-(2-fluorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-[4-(2-fluorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine is Fc1ccccc1-c1ncsc1-c1ccnc(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-4-[4-(2-fluorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is ZCZXPHLQRVDXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4S/c19-14-8-4-3-7-13(14)16-17(24-11-21-16)15-9-10-20-18(23-15)22-12-5-1-2-6-12/h3-4,7-12H,1-2,5-6H2,(H,20,22,23).
What are the key properties of N-cyclopentyl-4-[4-(2-fluorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
N-cyclopentyl-4-[4-(2-fluorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 340.43 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[4-(2-fluorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 91454261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).