N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride

C15H18ClFN4OS — CID 119759560

IUPACN-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.Cn1ccnc1Sc1ccc(F)cc1NC(=O)C1CCNC1
InChIInChI=1S/C15H17FN4OS.ClH/c1-20-7-6-18-15(20)22-13-3-2-11(16)8-12(13)19-14(21)10-4-5-17-9-10;/h2-3,6-8,10,17H,4-5,9H2,1H3,(H,19,21);1H
InChIKeyHKBLGNKVMNBKLH-UHFFFAOYSA-N
MW356.85 g/mol
LogP2.68
Rot. Bonds4

About N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119759560) has the molecular formula C15H18ClFN4OS and a molecular weight of 356.85 g/mol. Its IUPAC name is N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119759560
Molecular FormulaC15H18ClFN4OS
Molecular Weight356.85 g/mol
Exact Mass356.09
IUPAC NameN-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.Cn1ccnc1Sc1ccc(F)cc1NC(=O)C1CCNC1
InChIInChI=1S/C15H17FN4OS.ClH/c1-20-7-6-18-15(20)22-13-3-2-11(16)8-12(13)19-14(21)10-4-5-17-9-10;/h2-3,6-8,10,17H,4-5,9H2,1H3,(H,19,21);1H
InChIKeyHKBLGNKVMNBKLH-UHFFFAOYSA-N
XLogP2.68
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide
CID 119759537
3-amino-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide
CID 119759543
(2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]oxolane-2-carboxamide;hydrochloride
CID 120790735
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
N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119674755
3-(2,5-difluorophenyl)-N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 102556994
4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid
CID 61157573
(3R,4S)-N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120929059
N-[4-fluoro-2-(piperidine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 119844811
N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708623

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119759560) is N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.Cn1ccnc1Sc1ccc(F)cc1NC(=O)C1CCNC1.
What is the InChIKey of N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is HKBLGNKVMNBKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS.ClH/c1-20-7-6-18-15(20)22-13-3-2-11(16)8-12(13)19-14(21)10-4-5-17-9-10;/h2-3,6-8,10,17H,4-5,9H2,1H3,(H,19,21);1H.
What are the key properties of N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(1-methylimidazol-2-yl)sulfanylphenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119759560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).