2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide

C14H12Cl2N2OS — CID 78778238

IUPAC2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide
SMILESCc1csc(N(C(=O)C2CC2(Cl)Cl)c2ccccc2)n1
InChIInChI=1S/C14H12Cl2N2OS/c1-9-8-20-13(17-9)18(10-5-3-2-4-6-10)12(19)11-7-14(11,15)16/h2-6,8,11H,7H2,1H3
InChIKeyRSJXTXFIUHRCKD-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.31
Rot. Bonds3

About 2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide

2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide (PubChem CID 78778238) has the molecular formula C14H12Cl2N2OS and a molecular weight of 327.24 g/mol. Its IUPAC name is 2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide
PubChem CID78778238
Molecular FormulaC14H12Cl2N2OS
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide
SMILESCc1csc(N(C(=O)C2CC2(Cl)Cl)c2ccccc2)n1
InChIInChI=1S/C14H12Cl2N2OS/c1-9-8-20-13(17-9)18(10-5-3-2-4-6-10)12(19)11-7-14(11,15)16/h2-6,8,11H,7H2,1H3
InChIKeyRSJXTXFIUHRCKD-UHFFFAOYSA-N
XLogP4.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25492097
N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 55611555
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 43616649
3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
CID 62727733
1-benzylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 38906012
1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 26176459
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylthiophene-2-carboxamide
CID 9110040
3-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 60529744
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-propanoylpiperidine-3-carboxamide
CID 60529728
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide
CID 78778253
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide
CID 52895835
N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N-phenyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 60529709

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide (CID 78778238) is 2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide is Cc1csc(N(C(=O)C2CC2(Cl)Cl)c2ccccc2)n1.
What is the InChIKey of 2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide?
The InChIKey is RSJXTXFIUHRCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS/c1-9-8-20-13(17-9)18(10-5-3-2-4-6-10)12(19)11-7-14(11,15)16/h2-6,8,11H,7H2,1H3.
What are the key properties of 2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide?
2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide has a molecular weight of 327.24 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 78778238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).