methyl 2-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate

C12H18N2O3S — CID 49323857

IUPACmethyl 2-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate
SMILESCCc1nc(C)c(C(=O)NC(C)(C)C(=O)OC)s1
InChIInChI=1S/C12H18N2O3S/c1-6-8-13-7(2)9(18-8)10(15)14-12(3,4)11(16)17-5/h6H2,1-5H3,(H,14,15)
InChIKeyCLJIEWGLTOUFRR-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.70
Rot. Bonds4

About methyl 2-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate

methyl 2-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate (PubChem CID 49323857) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate
PubChem CID49323857
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namemethyl 2-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate
SMILESCCc1nc(C)c(C(=O)NC(C)(C)C(=O)OC)s1
InChIInChI=1S/C12H18N2O3S/c1-6-8-13-7(2)9(18-8)10(15)14-12(3,4)11(16)17-5/h6H2,1-5H3,(H,14,15)
InChIKeyCLJIEWGLTOUFRR-UHFFFAOYSA-N
XLogP1.70
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate (CID 49323857) is methyl 2-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate is CCc1nc(C)c(C(=O)NC(C)(C)C(=O)OC)s1.
What is the InChIKey of methyl 2-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate?
The InChIKey is CLJIEWGLTOUFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-6-8-13-7(2)9(18-8)10(15)14-12(3,4)11(16)17-5/h6H2,1-5H3,(H,14,15).
What are the key properties of methyl 2-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate?
methyl 2-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate has a molecular weight of 270.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate is sourced from PubChem (CID 49323857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).