methyl 2-(cyclohexanecarbonylamino)-1,3-thiazole-5-carboxylate

C12H16N2O3S — CID 18103561

IUPACmethyl 2-(cyclohexanecarbonylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C12H16N2O3S/c1-17-11(16)9-7-13-12(18-9)14-10(15)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyOPFHGXSOTMARMF-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.45
Rot. Bonds3

About methyl 2-(cyclohexanecarbonylamino)-1,3-thiazole-5-carboxylate

methyl 2-(cyclohexanecarbonylamino)-1,3-thiazole-5-carboxylate (PubChem CID 18103561) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is methyl 2-(cyclohexanecarbonylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclohexanecarbonylamino)-1,3-thiazole-5-carboxylate
PubChem CID18103561
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Namemethyl 2-(cyclohexanecarbonylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)C2CCCCC2)s1
InChIInChI=1S/C12H16N2O3S/c1-17-11(16)9-7-13-12(18-9)14-10(15)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyOPFHGXSOTMARMF-UHFFFAOYSA-N
XLogP2.45
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohexanecarbonylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(cyclohexanecarbonylamino)-1,3-thiazole-5-carboxylate (CID 18103561) is methyl 2-(cyclohexanecarbonylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(cyclohexanecarbonylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(cyclohexanecarbonylamino)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)C2CCCCC2)s1.
What is the InChIKey of methyl 2-(cyclohexanecarbonylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is OPFHGXSOTMARMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-17-11(16)9-7-13-12(18-9)14-10(15)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,13,14,15).
What are the key properties of methyl 2-(cyclohexanecarbonylamino)-1,3-thiazole-5-carboxylate?
methyl 2-(cyclohexanecarbonylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 268.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohexanecarbonylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18103561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).