(1R)-2,2-dichloro-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C8H8Cl2N2OS — CID 7028532

IUPAC(1R)-2,2-dichloro-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)Nc2nccs2)CC1(Cl)Cl
InChIInChI=1S/C8H8Cl2N2OS/c1-7(4-8(7,9)10)5(13)12-6-11-2-3-14-6/h2-3H,4H2,1H3,(H,11,12,13)/t7-/m1/s1
InChIKeyGLJZLKVEOGDGQU-SSDOTTSWSA-N
MW251.14 g/mol
LogP2.67
Rot. Bonds2

About (1R)-2,2-dichloro-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide

(1R)-2,2-dichloro-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 7028532) has the molecular formula C8H8Cl2N2OS and a molecular weight of 251.14 g/mol. Its IUPAC name is (1R)-2,2-dichloro-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dichloro-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID7028532
Molecular FormulaC8H8Cl2N2OS
Molecular Weight251.14 g/mol
Exact Mass249.97
IUPAC Name(1R)-2,2-dichloro-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)Nc2nccs2)CC1(Cl)Cl
InChIInChI=1S/C8H8Cl2N2OS/c1-7(4-8(7,9)10)5(13)12-6-11-2-3-14-6/h2-3H,4H2,1H3,(H,11,12,13)/t7-/m1/s1
InChIKeyGLJZLKVEOGDGQU-SSDOTTSWSA-N
XLogP2.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.14
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dichloro-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dichloro-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 7028532) is (1R)-2,2-dichloro-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dichloro-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dichloro-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide is C[C@]1(C(=O)Nc2nccs2)CC1(Cl)Cl.
What is the InChIKey of (1R)-2,2-dichloro-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is GLJZLKVEOGDGQU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8Cl2N2OS/c1-7(4-8(7,9)10)5(13)12-6-11-2-3-14-6/h2-3H,4H2,1H3,(H,11,12,13)/t7-/m1/s1.
What are the key properties of (1R)-2,2-dichloro-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
(1R)-2,2-dichloro-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 251.14 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dichloro-1-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 7028532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).