ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate

C10H15NO2S — CID 116526179

IUPACethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
SMILESCCCc1nc(C(=O)OCC)c(C)s1
InChIInChI=1S/C10H15NO2S/c1-4-6-8-11-9(7(3)14-8)10(12)13-5-2/h4-6H2,1-3H3
InChIKeyFOEHIDHBXGNCLJ-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.58
Rot. Bonds4

About ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate

ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate (PubChem CID 116526179) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
PubChem CID116526179
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nameethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
SMILESCCCc1nc(C(=O)OCC)c(C)s1
InChIInChI=1S/C10H15NO2S/c1-4-6-8-11-9(7(3)14-8)10(12)13-5-2/h4-6H2,1-3H3
InChIKeyFOEHIDHBXGNCLJ-UHFFFAOYSA-N
XLogP2.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527168
methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 115422950
ethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527183
ethyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate;oxalic acid
CID 166597361
ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 70144784
ethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 161136638
ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
CID 53302340
ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
CID 145143337
ethyl 5-(phenoxycarbonylamino)-2-propyl-1,3-thiazole-4-carboxylate
CID 58334300
ethyl 5-methyl-2-(piperazin-1-ylmethyl)-1,3-thiazole-4-carboxylate
CID 116527186
ethyl 2-(3-aminopentan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527160
ethyl 2-(1-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527156

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate (CID 116526179) is ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate is CCCc1nc(C(=O)OCC)c(C)s1.
What is the InChIKey of ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate?
The InChIKey is FOEHIDHBXGNCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-4-6-8-11-9(7(3)14-8)10(12)13-5-2/h4-6H2,1-3H3.
What are the key properties of ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate has a molecular weight of 213.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116526179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).