trans-(1R,2R)-N-[3-(4-chlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide

C15H15ClN2OS — CID 24884476

IUPACtrans-(1R,2R)-N-[3-(4-chlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2)nsc1NC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C15H15ClN2OS/c1-8-7-12(8)14(19)17-15-9(2)13(18-20-15)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,19)/t8-,12-/m1/s1
InChIKeyLXZFJIRPRVGCDF-PRHODGIISA-N
MW306.82 g/mol
LogP4.37
Rot. Bonds3

About trans-(1R,2R)-N-[3-(4-chlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[3-(4-chlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 24884476) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is trans-(1R,2R)-N-[3-(4-chlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[3-(4-chlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID24884476
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Nametrans-(1R,2R)-N-[3-(4-chlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2)nsc1NC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C15H15ClN2OS/c1-8-7-12(8)14(19)17-15-9(2)13(18-20-15)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,19)/t8-,12-/m1/s1
InChIKeyLXZFJIRPRVGCDF-PRHODGIISA-N
XLogP4.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[3-(4-chlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[3-(4-chlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide (CID 24884476) is trans-(1R,2R)-N-[3-(4-chlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[3-(4-chlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[3-(4-chlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide is Cc1c(-c2ccc(Cl)cc2)nsc1NC(=O)[C@@H]1C[C@H]1C.
What is the InChIKey of trans-(1R,2R)-N-[3-(4-chlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is LXZFJIRPRVGCDF-PRHODGIISA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-8-7-12(8)14(19)17-15-9(2)13(18-20-15)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,19)/t8-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[3-(4-chlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[3-(4-chlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 306.82 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[3-(4-chlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 24884476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).