cis-(1R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C15H22N2OS — CID 51643854

IUPACcis-(1R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)Nc2nc(C)c(C)s2)C1(C)C
InChIInChI=1S/C15H22N2OS/c1-8(2)7-11-12(15(11,5)6)13(18)17-14-16-9(3)10(4)19-14/h7,11-12H,1-6H3,(H,16,17,18)/t11-,12+/m1/s1
InChIKeyRBPJHZRHEPDCCT-NEPJUHHUSA-N
MW278.42 g/mol
LogP3.94
Rot. Bonds3

About cis-(1R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

cis-(1R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 51643854) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is cis-(1R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID51643854
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Namecis-(1R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)Nc2nc(C)c(C)s2)C1(C)C
InChIInChI=1S/C15H22N2OS/c1-8(2)7-11-12(15(11,5)6)13(18)17-14-16-9(3)10(4)19-14/h7,11-12H,1-6H3,(H,16,17,18)/t11-,12+/m1/s1
InChIKeyRBPJHZRHEPDCCT-NEPJUHHUSA-N
XLogP3.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 51643854) is cis-(1R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nc(C)c(C)s2)C1(C)C.
What is the InChIKey of cis-(1R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is RBPJHZRHEPDCCT-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-8(2)7-11-12(15(11,5)6)13(18)17-14-16-9(3)10(4)19-14/h7,11-12H,1-6H3,(H,16,17,18)/t11-,12+/m1/s1.
What are the key properties of cis-(1R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
cis-(1R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 51643854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).