cis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C15H13F3N2OS — CID 95620997

IUPACcis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1nccs1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2OS/c16-15(17,18)10-3-1-2-9(6-10)11-7-12(11)14(21)20-8-13-19-4-5-22-13/h1-6,11-12H,7-8H2,(H,20,21)/t11-,12-/m0/s1
InChIKeyKGJGGVDZYOWRHJ-RYUDHWBXSA-N
MW326.34 g/mol
LogP3.58
Rot. Bonds4

About cis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

cis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 95620997) has the molecular formula C15H13F3N2OS and a molecular weight of 326.34 g/mol. Its IUPAC name is cis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID95620997
Molecular FormulaC15H13F3N2OS
Molecular Weight326.34 g/mol
Exact Mass326.07
IUPAC Namecis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1nccs1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2OS/c16-15(17,18)10-3-1-2-9(6-10)11-7-12(11)14(21)20-8-13-19-4-5-22-13/h1-6,11-12H,7-8H2,(H,20,21)/t11-,12-/m0/s1
InChIKeyKGJGGVDZYOWRHJ-RYUDHWBXSA-N
XLogP3.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96515120
N-(3-aminobutyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119497155
2-[3-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropane-1-carboxamide
CID 86935010
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 102556905
N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 120650795
2-amino-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
CID 82237387
N-[2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 102558540
trans-(1S,2S)-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96511366
N-(2-pyrrolidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119535708
trans-ethyl (1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 90226075
ethyl 2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 57429659
N-[3-(hydroxymethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 111116064

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 95620997) is cis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(NCc1nccs1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1.
What is the InChIKey of cis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is KGJGGVDZYOWRHJ-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H13F3N2OS/c16-15(17,18)10-3-1-2-9(6-10)11-7-12(11)14(21)20-8-13-19-4-5-22-13/h1-6,11-12H,7-8H2,(H,20,21)/t11-,12-/m0/s1.
What are the key properties of cis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 326.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95620997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).