trans-(1S,2S)-2-(3-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

C16H15F3N2OS — CID 124591810

IUPACtrans-(1S,2S)-2-(3-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCc1ccsc1[C@H]1C[C@@H]1C(=O)N(CC(F)(F)F)c1ccccn1
InChIInChI=1S/C16H15F3N2OS/c1-10-5-7-23-14(10)11-8-12(11)15(22)21(9-16(17,18)19)13-4-2-3-6-20-13/h2-7,11-12H,8-9H2,1H3/t11-,12-/m0/s1
InChIKeyAYEXYMFQEGNOHR-RYUDHWBXSA-N
MW340.37 g/mol
LogP4.15
Rot. Bonds4

About trans-(1S,2S)-2-(3-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-(3-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 124591810) has the molecular formula C16H15F3N2OS and a molecular weight of 340.37 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID124591810
Molecular FormulaC16H15F3N2OS
Molecular Weight340.37 g/mol
Exact Mass340.09
IUPAC Nametrans-(1S,2S)-2-(3-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESCc1ccsc1[C@H]1C[C@@H]1C(=O)N(CC(F)(F)F)c1ccccn1
InChIInChI=1S/C16H15F3N2OS/c1-10-5-7-23-14(10)11-8-12(11)15(22)21(9-16(17,18)19)13-4-2-3-6-20-13/h2-7,11-12H,8-9H2,1H3/t11-,12-/m0/s1
InChIKeyAYEXYMFQEGNOHR-RYUDHWBXSA-N
XLogP4.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(3-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 124591810) is trans-(1S,2S)-2-(3-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(3-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(3-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(CC(F)(F)F)c1ccccn1.
What is the InChIKey of trans-(1S,2S)-2-(3-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is AYEXYMFQEGNOHR-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H15F3N2OS/c1-10-5-7-23-14(10)11-8-12(11)15(22)21(9-16(17,18)19)13-4-2-3-6-20-13/h2-7,11-12H,8-9H2,1H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(3-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 124591810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).