ethyl 5-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate

C12H18N2O3S2 — CID 114267554

IUPACethyl 5-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1ncc(C(=O)N(C)C(C)CSC)s1
InChIInChI=1S/C12H18N2O3S2/c1-5-17-12(16)10-13-6-9(19-10)11(15)14(3)8(2)7-18-4/h6,8H,5,7H2,1-4H3
InChIKeyYAXFEVQMFMDEAQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.14
Rot. Bonds6

About ethyl 5-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate

ethyl 5-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate (PubChem CID 114267554) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is ethyl 5-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate
PubChem CID114267554
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Nameethyl 5-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1ncc(C(=O)N(C)C(C)CSC)s1
InChIInChI=1S/C12H18N2O3S2/c1-5-17-12(16)10-13-6-9(19-10)11(15)14(3)8(2)7-18-4/h6,8H,5,7H2,1-4H3
InChIKeyYAXFEVQMFMDEAQ-UHFFFAOYSA-N
XLogP2.14
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 5-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate (CID 114267554) is ethyl 5-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 5-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1ncc(C(=O)N(C)C(C)CSC)s1.
What is the InChIKey of ethyl 5-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate?
The InChIKey is YAXFEVQMFMDEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-5-17-12(16)10-13-6-9(19-10)11(15)14(3)8(2)7-18-4/h6,8H,5,7H2,1-4H3.
What are the key properties of ethyl 5-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate?
ethyl 5-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate has a molecular weight of 302.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 114267554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).