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

C10H12N2O3S — CID 18103576

IUPACmethyl 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)C2CCC2)s1
InChIInChI=1S/C10H12N2O3S/c1-15-9(14)7-5-11-10(16-7)12-8(13)6-3-2-4-6/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKeyAKIOPJVJSPGSSX-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.67
Rot. Bonds3

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

methyl 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylate (PubChem CID 18103576) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is methyl 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylate
PubChem CID18103576
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Namemethyl 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)C2CCC2)s1
InChIInChI=1S/C10H12N2O3S/c1-15-9(14)7-5-11-10(16-7)12-8(13)6-3-2-4-6/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKeyAKIOPJVJSPGSSX-UHFFFAOYSA-N
XLogP1.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylate (CID 18103576) is methyl 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)C2CCC2)s1.
What is the InChIKey of methyl 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is AKIOPJVJSPGSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-15-9(14)7-5-11-10(16-7)12-8(13)6-3-2-4-6/h5-6H,2-4H2,1H3,(H,11,12,13).
What are the key properties of methyl 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylate?
methyl 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 240.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclobutanecarbonylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18103576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).