trans-(1R,2R)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide

C17H17FN2OS — CID 95324709

IUPACtrans-(1R,2R)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1csc(C2CC2)n1)[C@@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C17H17FN2OS/c18-12-5-3-10(4-6-12)14-7-15(14)16(21)19-8-13-9-22-17(20-13)11-1-2-11/h3-6,9,11,14-15H,1-2,7-8H2,(H,19,21)/t14-,15+/m0/s1
InChIKeyNLJSFSIGGQZNGW-LSDHHAIUSA-N
MW316.40 g/mol
LogP3.58
Rot. Bonds5

About trans-(1R,2R)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 95324709) has the molecular formula C17H17FN2OS and a molecular weight of 316.40 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID95324709
Molecular FormulaC17H17FN2OS
Molecular Weight316.40 g/mol
Exact Mass316.10
IUPAC Nametrans-(1R,2R)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1csc(C2CC2)n1)[C@@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C17H17FN2OS/c18-12-5-3-10(4-6-12)14-7-15(14)16(21)19-8-13-9-22-17(20-13)11-1-2-11/h3-6,9,11,14-15H,1-2,7-8H2,(H,19,21)/t14-,15+/m0/s1
InChIKeyNLJSFSIGGQZNGW-LSDHHAIUSA-N
XLogP3.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 97178754
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 51291702
2-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 49491563
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide
CID 75358505
methyl 3-[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoate
CID 97010209
3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324619
trans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 30254146
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249836
trans-(1R,2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 136583904
N-[[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 71842190
2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide
CID 134009740

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 95324709) is trans-(1R,2R)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide is O=C(NCc1csc(C2CC2)n1)[C@@H]1C[C@H]1c1ccc(F)cc1.
What is the InChIKey of trans-(1R,2R)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is NLJSFSIGGQZNGW-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H17FN2OS/c18-12-5-3-10(4-6-12)14-7-15(14)16(21)19-8-13-9-22-17(20-13)11-1-2-11/h3-6,9,11,14-15H,1-2,7-8H2,(H,19,21)/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95324709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).