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

C15H14Cl2N2OS — CID 67180972

IUPACtrans-(1R,2R)-N-[3-(3,4-dichlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
SMILESCc1c(-c2ccc(Cl)c(Cl)c2)nsc1NC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C15H14Cl2N2OS/c1-7-5-10(7)14(20)18-15-8(2)13(19-21-15)9-3-4-11(16)12(17)6-9/h3-4,6-7,10H,5H2,1-2H3,(H,18,20)/t7-,10-/m1/s1
InChIKeyNZLYIRGKYBTHNX-GMSGAONNSA-N
MW341.26 g/mol
LogP5.02
Rot. Bonds3

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

trans-(1R,2R)-N-[3-(3,4-dichlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 67180972) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is trans-(1R,2R)-N-[3-(3,4-dichlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[3-(3,4-dichlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID67180972
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC Nametrans-(1R,2R)-N-[3-(3,4-dichlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
SMILESCc1c(-c2ccc(Cl)c(Cl)c2)nsc1NC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C15H14Cl2N2OS/c1-7-5-10(7)14(20)18-15-8(2)13(19-21-15)9-3-4-11(16)12(17)6-9/h3-4,6-7,10H,5H2,1-2H3,(H,18,20)/t7-,10-/m1/s1
InChIKeyNZLYIRGKYBTHNX-GMSGAONNSA-N
XLogP5.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.26
LogP ≤ 55.02
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-(3,4-dichlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[3-(3,4-dichlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide (CID 67180972) is trans-(1R,2R)-N-[3-(3,4-dichlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[3-(3,4-dichlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[3-(3,4-dichlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide is Cc1c(-c2ccc(Cl)c(Cl)c2)nsc1NC(=O)[C@@H]1C[C@H]1C.
What is the InChIKey of trans-(1R,2R)-N-[3-(3,4-dichlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is NZLYIRGKYBTHNX-GMSGAONNSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS/c1-7-5-10(7)14(20)18-15-8(2)13(19-21-15)9-3-4-11(16)12(17)6-9/h3-4,6-7,10H,5H2,1-2H3,(H,18,20)/t7-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[3-(3,4-dichlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[3-(3,4-dichlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 341.26 g/mol, XLogP of 5.02, 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-(3,4-dichlorophenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 67180972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).