methyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate

C12H17ClN2O2S — CID 64921664

IUPACmethyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2CCC(C)C2C)nc1Cl
InChIInChI=1S/C12H17ClN2O2S/c1-6-4-5-8(7(6)2)14-12-15-10(13)9(18-12)11(16)17-3/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeyGCVYLBVFBLMADJ-UHFFFAOYSA-N
MW288.80 g/mol
LogP3.43
Rot. Bonds3

About methyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 64921664) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is methyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID64921664
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Namemethyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2CCC(C)C2C)nc1Cl
InChIInChI=1S/C12H17ClN2O2S/c1-6-4-5-8(7(6)2)14-12-15-10(13)9(18-12)11(16)17-3/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeyGCVYLBVFBLMADJ-UHFFFAOYSA-N
XLogP3.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate (CID 64921664) is methyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC2CCC(C)C2C)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is GCVYLBVFBLMADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-6-4-5-8(7(6)2)14-12-15-10(13)9(18-12)11(16)17-3/h6-8H,4-5H2,1-3H3,(H,14,15).
What are the key properties of methyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 288.80 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 64921664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).