trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]cyclopropane-1-carboxamide

C14H13F3N4OS — CID 167847262

IUPACtrans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCn1cncc1[C@@H]1C[C@H]1C(=O)Nc1ccc(SC(F)(F)F)nc1
InChIInChI=1S/C14H13F3N4OS/c1-21-7-18-6-11(21)9-4-10(9)13(22)20-8-2-3-12(19-5-8)23-14(15,16)17/h2-3,5-7,9-10H,4H2,1H3,(H,20,22)/t9-,10-/m1/s1
InChIKeyUCXYVIMJUQYORL-NXEZZACHSA-N
MW342.35 g/mol
LogP3.17
Rot. Bonds4

About trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 167847262) has the molecular formula C14H13F3N4OS and a molecular weight of 342.35 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]cyclopropane-1-carboxamide
PubChem CID167847262
Molecular FormulaC14H13F3N4OS
Molecular Weight342.35 g/mol
Exact Mass342.08
IUPAC Nametrans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCn1cncc1[C@@H]1C[C@H]1C(=O)Nc1ccc(SC(F)(F)F)nc1
InChIInChI=1S/C14H13F3N4OS/c1-21-7-18-6-11(21)9-4-10(9)13(22)20-8-2-3-12(19-5-8)23-14(15,16)17/h2-3,5-7,9-10H,4H2,1H3,(H,20,22)/t9-,10-/m1/s1
InChIKeyUCXYVIMJUQYORL-NXEZZACHSA-N
XLogP3.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

4-fluoro-3-[[(1R,2R)-2-(3-methylimidazol-4-yl)cyclopropanecarbonyl]amino]benzoic acid
CID 138054801
trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide
CID 167958471
cis-(1R,2S)-N-(6-ethylsulfanyl-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 95276625
2-(3-methylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride
CID 122236347
2-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 51291677
5-[[(3S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pyridine-2-carboxamide
CID 167790925
trans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide
CID 94812943
2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115165335
trans-(1R,2R)-N-(6-methoxy-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 27646060
cis-(1R,2S)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 95383107
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 95383104
2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidine-3-carboxamide
CID 79389152

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]cyclopropane-1-carboxamide (CID 167847262) is trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]cyclopropane-1-carboxamide is Cn1cncc1[C@@H]1C[C@H]1C(=O)Nc1ccc(SC(F)(F)F)nc1.
What is the InChIKey of trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is UCXYVIMJUQYORL-NXEZZACHSA-N. The full InChI is InChI=1S/C14H13F3N4OS/c1-21-7-18-6-11(21)9-4-10(9)13(22)20-8-2-3-12(19-5-8)23-14(15,16)17/h2-3,5-7,9-10H,4H2,1H3,(H,20,22)/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-methylimidazol-4-yl)-N-[6-(trifluoromethylsulfanyl)-3-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167847262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).