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

C10H15NO2S2 — CID 14358469

IUPACethyl 2-methylsulfanyl-5-propyl-1,3-thiazole-4-carboxylate
SMILESCCCc1sc(SC)nc1C(=O)OCC
InChIInChI=1S/C10H15NO2S2/c1-4-6-7-8(9(12)13-5-2)11-10(14-3)15-7/h4-6H2,1-3H3
InChIKeyNLYHYHXDRUPTRJ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.99
Rot. Bonds5

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

ethyl 2-methylsulfanyl-5-propyl-1,3-thiazole-4-carboxylate (PubChem CID 14358469) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is ethyl 2-methylsulfanyl-5-propyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylsulfanyl-5-propyl-1,3-thiazole-4-carboxylate
PubChem CID14358469
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC Nameethyl 2-methylsulfanyl-5-propyl-1,3-thiazole-4-carboxylate
SMILESCCCc1sc(SC)nc1C(=O)OCC
InChIInChI=1S/C10H15NO2S2/c1-4-6-7-8(9(12)13-5-2)11-10(14-3)15-7/h4-6H2,1-3H3
InChIKeyNLYHYHXDRUPTRJ-UHFFFAOYSA-N
XLogP2.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Thiazolecarboxylic acid, 2-methyl-5-propyl-
CID 83290667
Ethyl 2-bromo-5-(1,1-difluoroethyl)-1,3-thiazole-4-carboxylate
CID 156249472
Methyl 2-chloro-5-[3-(2,2,2-trifluoroacetyl)oxypropyl]-1,3-thiazole-4-carboxylate
CID 167520494
ethyl 5-[(2S)-4-methoxybutan-2-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 173755512
Ethyl 2-chloro-5-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate
CID 177178134
Methyl 5-isobutyl-1,3-thiazole-4-carboxylate
CID 10921525
Ethyl 2-bromo-5-prop-2-enyl-1,3-thiazole-4-carboxylate
CID 10516565
Methyl 5-ethyl-2-methylthiazole-4-carboxylate
CID 4275287
Methyl 2,5-diethyl-1,3-thiazole-4-carboxylate
CID 10559920
4-Thiazolecarboxylic acid, 5-propyl-, ethyl ester
CID 12300672
Ethyl 2-amino-5-propyl-1,3-thiazole-4-carboxylate
CID 12603725
Methyl 5-ethylthiazole-4-carboxylate
CID 13015585

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylsulfanyl-5-propyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-methylsulfanyl-5-propyl-1,3-thiazole-4-carboxylate (CID 14358469) is ethyl 2-methylsulfanyl-5-propyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-methylsulfanyl-5-propyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-methylsulfanyl-5-propyl-1,3-thiazole-4-carboxylate is CCCc1sc(SC)nc1C(=O)OCC.
What is the InChIKey of ethyl 2-methylsulfanyl-5-propyl-1,3-thiazole-4-carboxylate?
The InChIKey is NLYHYHXDRUPTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-4-6-7-8(9(12)13-5-2)11-10(14-3)15-7/h4-6H2,1-3H3.
What are the key properties of ethyl 2-methylsulfanyl-5-propyl-1,3-thiazole-4-carboxylate?
ethyl 2-methylsulfanyl-5-propyl-1,3-thiazole-4-carboxylate has a molecular weight of 245.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylsulfanyl-5-propyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 14358469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).