[2-(cyclopentylamino)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate

C11H12Cl2N2O3S — CID 1470359

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate
SMILESO=C(COC(=O)c1nsc(Cl)c1Cl)NC1CCCC1
InChIInChI=1S/C11H12Cl2N2O3S/c12-8-9(15-19-10(8)13)11(17)18-5-7(16)14-6-3-1-2-4-6/h6H,1-5H2,(H,14,16)
InChIKeyKQRKGKBRWWCKJV-UHFFFAOYSA-N
MW323.20 g/mol
LogP2.67
Rot. Bonds4

About [2-(cyclopentylamino)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate

[2-(cyclopentylamino)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate (PubChem CID 1470359) has the molecular formula C11H12Cl2N2O3S and a molecular weight of 323.20 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate
PubChem CID1470359
Molecular FormulaC11H12Cl2N2O3S
Molecular Weight323.20 g/mol
Exact Mass321.99
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate
SMILESO=C(COC(=O)c1nsc(Cl)c1Cl)NC1CCCC1
InChIInChI=1S/C11H12Cl2N2O3S/c12-8-9(15-19-10(8)13)11(17)18-5-7(16)14-6-3-1-2-4-6/h6H,1-5H2,(H,14,16)
InChIKeyKQRKGKBRWWCKJV-UHFFFAOYSA-N
XLogP2.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-Dichloro-isothiazole-3-carboxylic acid 1-cyclopentylcarbamoyl-3-methyl-butyl ester
CID 3220373
[1-(2-Methylbutan-2-ylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 3220392
[1-(Tert-butylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 3273856
4,5-Dichloro-isothiazole-3-carboxylic acid (2-methoxy-ethylcarbamoyl)-methyl ester
CID 652700
4,5-Dichloro-isothiazole-3-carboxylic acid 2-methyl-1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-propyl ester
CID 3220371
4,5-Dichloro-isothiazole-3-carboxylic acid 1-cyclohexylcarbamoyl-ethyl ester
CID 3219019
4,5-Dichloro-isothiazole-3-carboxylic acid cyclohexylcarbamoylmethyl ester
CID 3219068
[1-(2-Methoxyethylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 3220391
4,5-Dichloro-isothiazole-3-carboxylic acid 1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-propyl ester
CID 3220395
4,5-Dichloro-isothiazole-3-carboxylic acid 1-(2-methoxy-ethylcarbamoyl)-ethyl ester
CID 646892
4,5-Dichloro-isothiazole-3-carboxylic acid 1-tert-butylcarbamoyl-ethyl ester
CID 3219070
4,5-Dichloro-isothiazole-3-carboxylic acid 1-cyclohexylcarbamoyl-2-methyl-propyl ester
CID 3220363

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate (CID 1470359) is [2-(cyclopentylamino)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate is O=C(COC(=O)c1nsc(Cl)c1Cl)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The InChIKey is KQRKGKBRWWCKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3S/c12-8-9(15-19-10(8)13)11(17)18-5-7(16)14-6-3-1-2-4-6/h6H,1-5H2,(H,14,16).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
[2-(cyclopentylamino)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate has a molecular weight of 323.20 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate is sourced from PubChem (CID 1470359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).