ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate

C10H16N2O2S — CID 80567825

IUPACethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N(C)C(C)C)n1
InChIInChI=1S/C10H16N2O2S/c1-5-14-9(13)8-6-15-10(11-8)12(4)7(2)3/h6-7H,5H2,1-4H3
InChIKeyBHEKWFOSGAALMT-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.16
Rot. Bonds4

About ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 80567825) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate
PubChem CID80567825
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Nameethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N(C)C(C)C)n1
InChIInChI=1S/C10H16N2O2S/c1-5-14-9(13)8-6-15-10(11-8)12(4)7(2)3/h6-7H,5H2,1-4H3
InChIKeyBHEKWFOSGAALMT-UHFFFAOYSA-N
XLogP2.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate (CID 80567825) is ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N(C)C(C)C)n1.
What is the InChIKey of ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is BHEKWFOSGAALMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-5-14-9(13)8-6-15-10(11-8)12(4)7(2)3/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 228.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 80567825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).