methyl 4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carboxylate

C10H13ClN2O2S — CID 47256163

IUPACmethyl 4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2CCCC2)nc1Cl
InChIInChI=1S/C10H13ClN2O2S/c1-15-9(14)7-8(11)13-10(16-7)12-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,12,13)
InChIKeyMEZPMLNVIXRTAP-UHFFFAOYSA-N
MW260.75 g/mol
LogP2.94
Rot. Bonds3

About methyl 4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carboxylate (PubChem CID 47256163) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is methyl 4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carboxylate
PubChem CID47256163
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Namemethyl 4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2CCCC2)nc1Cl
InChIInChI=1S/C10H13ClN2O2S/c1-15-9(14)7-8(11)13-10(16-7)12-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,12,13)
InChIKeyMEZPMLNVIXRTAP-UHFFFAOYSA-N
XLogP2.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 52.94
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-(cyclopentylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carboxylate (CID 47256163) is methyl 4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC2CCCC2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is MEZPMLNVIXRTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c1-15-9(14)7-8(11)13-10(16-7)12-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of methyl 4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 260.75 g/mol, XLogP of 2.94, 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-(cyclopentylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 47256163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).