trans-(1R,2R)-2-methyl-N-(4-methyl-3-phenyl-1,2-thiazol-5-yl)cyclopropane-1-carboxamide

C15H16N2OS — CID 67179855

IUPACtrans-(1R,2R)-2-methyl-N-(4-methyl-3-phenyl-1,2-thiazol-5-yl)cyclopropane-1-carboxamide
SMILESCc1c(-c2ccccc2)nsc1NC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C15H16N2OS/c1-9-8-12(9)14(18)16-15-10(2)13(17-19-15)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H,16,18)/t9-,12-/m1/s1
InChIKeyUTDCZGDLGDVTAF-BXKDBHETSA-N
MW272.37 g/mol
LogP3.71
Rot. Bonds3

About trans-(1R,2R)-2-methyl-N-(4-methyl-3-phenyl-1,2-thiazol-5-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-methyl-N-(4-methyl-3-phenyl-1,2-thiazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 67179855) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is trans-(1R,2R)-2-methyl-N-(4-methyl-3-phenyl-1,2-thiazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methyl-N-(4-methyl-3-phenyl-1,2-thiazol-5-yl)cyclopropane-1-carboxamide
PubChem CID67179855
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Nametrans-(1R,2R)-2-methyl-N-(4-methyl-3-phenyl-1,2-thiazol-5-yl)cyclopropane-1-carboxamide
SMILESCc1c(-c2ccccc2)nsc1NC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C15H16N2OS/c1-9-8-12(9)14(18)16-15-10(2)13(17-19-15)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H,16,18)/t9-,12-/m1/s1
InChIKeyUTDCZGDLGDVTAF-BXKDBHETSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-[3-(4-chlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
CID 24884476
trans-(1R,2R)-N-[3-(3,4-dichlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
CID 67180972
trans-(1R,2R)-N-[3-(4-fluorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
CID 67181213
(1R,2R)-N-[3-[4-(1,1-difluoroethyl)phenyl]-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
CID 67181693
trans-(1R,2R)-N-[3-(4-bromophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
CID 67182239
3-methyl-5-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2-thiazole-4-carboxamide
CID 42925901
2-(4-fluorophenyl)-N-(3-methylisothiazol-5-yl)acetamide
CID 49670641
N-(3-phenyl-1,2-thiazol-5-yl)prop-2-enamide
CID 137934754
N-(3-methyl-1,2-thiazol-5-yl)-2-(3-methylphenyl)acetamide
CID 49722107
N-(2,1-Benzisothiazol-3-yl)propanamide
CID 16205188
N-(2,1-Benzisothiazol-3-yl)butanamide
CID 16205189
N-(2,1-Benzisothiazol-3-yl)-2-methylpropanamide
CID 16205190

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methyl-N-(4-methyl-3-phenyl-1,2-thiazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-methyl-N-(4-methyl-3-phenyl-1,2-thiazol-5-yl)cyclopropane-1-carboxamide (CID 67179855) is trans-(1R,2R)-2-methyl-N-(4-methyl-3-phenyl-1,2-thiazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-methyl-N-(4-methyl-3-phenyl-1,2-thiazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-methyl-N-(4-methyl-3-phenyl-1,2-thiazol-5-yl)cyclopropane-1-carboxamide is Cc1c(-c2ccccc2)nsc1NC(=O)[C@@H]1C[C@H]1C.
What is the InChIKey of trans-(1R,2R)-2-methyl-N-(4-methyl-3-phenyl-1,2-thiazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is UTDCZGDLGDVTAF-BXKDBHETSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-9-8-12(9)14(18)16-15-10(2)13(17-19-15)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H,16,18)/t9-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methyl-N-(4-methyl-3-phenyl-1,2-thiazol-5-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-methyl-N-(4-methyl-3-phenyl-1,2-thiazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methyl-N-(4-methyl-3-phenyl-1,2-thiazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 67179855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).