3-(1-chlorocyclopropyl)-5-(2,5-dimethylphenoxy)-1,2-thiazole-4-carbonitrile

C15H13ClN2OS — CID 141277389

IUPAC3-(1-chlorocyclopropyl)-5-(2,5-dimethylphenoxy)-1,2-thiazole-4-carbonitrile
SMILESCc1ccc(C)c(Oc2snc(C3(Cl)CC3)c2C#N)c1
InChIInChI=1S/C15H13ClN2OS/c1-9-3-4-10(2)12(7-9)19-14-11(8-17)13(18-20-14)15(16)5-6-15/h3-4,7H,5-6H2,1-2H3
InChIKeyRKEOQLHWELMEHB-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.65
Rot. Bonds3

About 3-(1-chlorocyclopropyl)-5-(2,5-dimethylphenoxy)-1,2-thiazole-4-carbonitrile

3-(1-chlorocyclopropyl)-5-(2,5-dimethylphenoxy)-1,2-thiazole-4-carbonitrile (PubChem CID 141277389) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 3-(1-chlorocyclopropyl)-5-(2,5-dimethylphenoxy)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-(1-chlorocyclopropyl)-5-(2,5-dimethylphenoxy)-1,2-thiazole-4-carbonitrile
PubChem CID141277389
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name3-(1-chlorocyclopropyl)-5-(2,5-dimethylphenoxy)-1,2-thiazole-4-carbonitrile
SMILESCc1ccc(C)c(Oc2snc(C3(Cl)CC3)c2C#N)c1
InChIInChI=1S/C15H13ClN2OS/c1-9-3-4-10(2)12(7-9)19-14-11(8-17)13(18-20-14)15(16)5-6-15/h3-4,7H,5-6H2,1-2H3
InChIKeyRKEOQLHWELMEHB-UHFFFAOYSA-N
XLogP4.65
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(1-chlorocyclopropyl)-5-(2,5-dimethylphenoxy)-1,2-thiazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,5-dimethylphenoxy)-3-(3-methylphenyl)-1,2-thiazole-4-carbonitrile
CID 141399803
3-chloro-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile
CID 133424572
3-tert-butyl-5-(2-chloro-5-methylphenoxy)-1,2-thiazole-4-carbonitrile
CID 141277348
N'-[4-[[4-cyano-3-(1-methylcyclopropyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
CID 66690964
3-chloro-5-(5-methyl-2-nitrophenoxy)-1,2-thiazole-4-carbonitrile
CID 133426077
3,6-dichloro-4-(2,5-dimethylphenoxy)-5-methoxybenzene-1,2-dicarbonitrile
CID 155755522
2-(2,5-dimethylphenoxy)-4-methylbenzonitrile
CID 63511560
N'-[4-[[4-cyano-3-(2,2-dichloro-1-ethyl-3-methylcyclopropyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
CID 66691036
5-(2-chloro-5-methylphenoxy)-3-(2-fluorophenyl)-1,2-thiazole-4-carbonitrile
CID 141277358
6-(2,5-dimethylphenoxy)pyridine-3-carbonitrile
CID 24698854
5-(4-amino-2,5-dimethylphenoxy)-3-[(4-chlorophenyl)methyl]-1,2-thiazole-4-carbonitrile
CID 58283715
2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile
CID 82516401

Frequently Asked Questions

What is the IUPAC name of 3-(1-chlorocyclopropyl)-5-(2,5-dimethylphenoxy)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-(1-chlorocyclopropyl)-5-(2,5-dimethylphenoxy)-1,2-thiazole-4-carbonitrile (CID 141277389) is 3-(1-chlorocyclopropyl)-5-(2,5-dimethylphenoxy)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-(1-chlorocyclopropyl)-5-(2,5-dimethylphenoxy)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-(1-chlorocyclopropyl)-5-(2,5-dimethylphenoxy)-1,2-thiazole-4-carbonitrile is Cc1ccc(C)c(Oc2snc(C3(Cl)CC3)c2C#N)c1.
What is the InChIKey of 3-(1-chlorocyclopropyl)-5-(2,5-dimethylphenoxy)-1,2-thiazole-4-carbonitrile?
The InChIKey is RKEOQLHWELMEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-9-3-4-10(2)12(7-9)19-14-11(8-17)13(18-20-14)15(16)5-6-15/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 3-(1-chlorocyclopropyl)-5-(2,5-dimethylphenoxy)-1,2-thiazole-4-carbonitrile?
3-(1-chlorocyclopropyl)-5-(2,5-dimethylphenoxy)-1,2-thiazole-4-carbonitrile has a molecular weight of 304.80 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chlorocyclopropyl)-5-(2,5-dimethylphenoxy)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 141277389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).