5-cyclopentyl-N-(4-fluoro-2-sulfanylidene-1,3-dihydro-2-benzothiophen-5-yl)-1H-pyrazol-3-amine

C16H18FN3S2 — CID 176714801

IUPAC5-cyclopentyl-N-(4-fluoro-2-sulfanylidene-1,3-dihydro-2-benzothiophen-5-yl)-1H-pyrazol-3-amine
SMILESFc1c(Nc2cc(C3CCCC3)[nH]n2)ccc2c1CS(=S)C2
InChIInChI=1S/C16H18FN3S2/c17-16-12-9-22(21)8-11(12)5-6-13(16)18-15-7-14(19-20-15)10-3-1-2-4-10/h5-7,10H,1-4,8-9H2,(H2,18,19,20)
InChIKeyFOUIRHMABRCPSY-UHFFFAOYSA-N
MW335.47 g/mol
LogP4.04
Rot. Bonds3

About 5-cyclopentyl-N-(4-fluoro-2-sulfanylidene-1,3-dihydro-2-benzothiophen-5-yl)-1H-pyrazol-3-amine

5-cyclopentyl-N-(4-fluoro-2-sulfanylidene-1,3-dihydro-2-benzothiophen-5-yl)-1H-pyrazol-3-amine (PubChem CID 176714801) has the molecular formula C16H18FN3S2 and a molecular weight of 335.47 g/mol. Its IUPAC name is 5-cyclopentyl-N-(4-fluoro-2-sulfanylidene-1,3-dihydro-2-benzothiophen-5-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-cyclopentyl-N-(4-fluoro-2-sulfanylidene-1,3-dihydro-2-benzothiophen-5-yl)-1H-pyrazol-3-amine
PubChem CID176714801
Molecular FormulaC16H18FN3S2
Molecular Weight335.47 g/mol
Exact Mass335.09
IUPAC Name5-cyclopentyl-N-(4-fluoro-2-sulfanylidene-1,3-dihydro-2-benzothiophen-5-yl)-1H-pyrazol-3-amine
SMILESFc1c(Nc2cc(C3CCCC3)[nH]n2)ccc2c1CS(=S)C2
InChIInChI=1S/C16H18FN3S2/c17-16-12-9-22(21)8-11(12)5-6-13(16)18-15-7-14(19-20-15)10-3-1-2-4-10/h5-7,10H,1-4,8-9H2,(H2,18,19,20)
InChIKeyFOUIRHMABRCPSY-UHFFFAOYSA-N
XLogP4.04
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[3-[(4-fluoro-2-sulfanylidene-1,3-dihydro-2-benzothiophen-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] formate;2-methyl-2-(methylamino)propan-1-ol
CID 176714874
[3-[3-[(4-fluoro-2-oxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 2-methylpropanoate
CID 176714774
5-(3-ethenoxycyclopentyl)-N-(4-fluoro-1,3-dihydro-2-benzothiophen-5-yl)-1H-pyrazol-3-amine
CID 176714746
N-(5-cyclopentyl-1H-pyrazol-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-amine
CID 164880219
[(1S,3R)-3-[3-[(4-fluoro-2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-ethyl-N-methylcarbamate
CID 176714882
N-[3,5-bis(trifluoromethyl)phenyl]-5-cyclobutyl-1H-pyrazol-3-amine
CID 10154812
CID 176949406
CID 176949406
[(1S,3R)-3-[3-[(4-fluoro-2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 176714749
N-(5-cyclopentyl-1H-pyrazol-3-yl)-7,7-dimethyl-5,6-dihydrocyclopenta[c]pyridazin-3-amine
CID 164879933
N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 144990608
3-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-methylpyridin-4-amine
CID 164880257
N-[5-[3-(5-tert-butyl-1,3-oxazol-2-yl)cyclopentyl]-1H-pyrazol-3-yl]-4-fluoro-1-methyl-1-oxo-3H-1,2-benzothiazol-5-amine
CID 176949769

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-(4-fluoro-2-sulfanylidene-1,3-dihydro-2-benzothiophen-5-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-cyclopentyl-N-(4-fluoro-2-sulfanylidene-1,3-dihydro-2-benzothiophen-5-yl)-1H-pyrazol-3-amine (CID 176714801) is 5-cyclopentyl-N-(4-fluoro-2-sulfanylidene-1,3-dihydro-2-benzothiophen-5-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-cyclopentyl-N-(4-fluoro-2-sulfanylidene-1,3-dihydro-2-benzothiophen-5-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-cyclopentyl-N-(4-fluoro-2-sulfanylidene-1,3-dihydro-2-benzothiophen-5-yl)-1H-pyrazol-3-amine is Fc1c(Nc2cc(C3CCCC3)[nH]n2)ccc2c1CS(=S)C2.
What is the InChIKey of 5-cyclopentyl-N-(4-fluoro-2-sulfanylidene-1,3-dihydro-2-benzothiophen-5-yl)-1H-pyrazol-3-amine?
The InChIKey is FOUIRHMABRCPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3S2/c17-16-12-9-22(21)8-11(12)5-6-13(16)18-15-7-14(19-20-15)10-3-1-2-4-10/h5-7,10H,1-4,8-9H2,(H2,18,19,20).
What are the key properties of 5-cyclopentyl-N-(4-fluoro-2-sulfanylidene-1,3-dihydro-2-benzothiophen-5-yl)-1H-pyrazol-3-amine?
5-cyclopentyl-N-(4-fluoro-2-sulfanylidene-1,3-dihydro-2-benzothiophen-5-yl)-1H-pyrazol-3-amine has a molecular weight of 335.47 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-(4-fluoro-2-sulfanylidene-1,3-dihydro-2-benzothiophen-5-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 176714801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).