3-amino-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide

C16H19FN4OS — CID 119759543

IUPAC3-amino-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide
SMILESCn1ccnc1Sc1ccc(F)cc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C16H19FN4OS/c1-21-7-6-19-16(21)23-14-5-3-11(17)9-13(14)20-15(22)10-2-4-12(18)8-10/h3,5-7,9-10,12H,2,4,8,18H2,1H3,(H,20,22)
InChIKeySMQHFQSWOFIFBV-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.78
Rot. Bonds4

About 3-amino-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide

3-amino-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide (PubChem CID 119759543) has the molecular formula C16H19FN4OS and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-amino-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide
PubChem CID119759543
Molecular FormulaC16H19FN4OS
Molecular Weight334.42 g/mol
Exact Mass334.13
IUPAC Name3-amino-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide
SMILESCn1ccnc1Sc1ccc(F)cc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C16H19FN4OS/c1-21-7-6-19-16(21)23-14-5-3-11(17)9-13(14)20-15(22)10-2-4-12(18)8-10/h3,5-7,9-10,12H,2,4,8,18H2,1H3,(H,20,22)
InChIKeySMQHFQSWOFIFBV-UHFFFAOYSA-N
XLogP2.78
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119759560
(2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]oxolane-2-carboxamide;hydrochloride
CID 120790735
3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119698990
N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylacetamide
CID 56822450
N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-5-methylpyrazine-2-carboxamide
CID 51102996
(2S)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]-2-methylsulfanylpropanamide
CID 95275387
3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide
CID 103808505
N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide
CID 119759537
3-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]cyclohexane-1-carboxamide
CID 119795110
3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
CID 55146164
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]cyclopentane-1-carboxamide
CID 119702540
3-(2,5-difluorophenyl)-N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 102556994

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide (CID 119759543) is 3-amino-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide is Cn1ccnc1Sc1ccc(F)cc1NC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide?
The InChIKey is SMQHFQSWOFIFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4OS/c1-21-7-6-19-16(21)23-14-5-3-11(17)9-13(14)20-15(22)10-2-4-12(18)8-10/h3,5-7,9-10,12H,2,4,8,18H2,1H3,(H,20,22).
What are the key properties of 3-amino-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide?
3-amino-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119759543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).