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

C10H15NO2S — CID 70144784

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

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

ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate (PubChem CID 70144784) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
PubChem CID70144784
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nameethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1nc(C)c(C(=O)OCC)s1
InChIInChI=1S/C10H15NO2S/c1-4-6-8-11-7(3)9(14-8)10(12)13-5-2/h4-6H2,1-3H3
InChIKeyWGGRSWZCMLAUNA-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-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
3-pyridin-4-ylpropyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 60554371
ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 116526179
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215
ethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 68982830
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 2-(1-aminoethyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 146082192
ethyl 4-methyl-2-(3-methylbutan-2-yl)-1,3-thiazole-5-carboxylate
CID 142196617
ethyl 2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 53263563
ethyl 4-methyl-2-(3-oxoprop-1-enyl)-1,3-thiazole-5-carboxylate
CID 169459614
ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate
CID 2989996
ethyl 4-methyl-2-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-5-carboxylate
CID 67890766

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate (CID 70144784) is ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate is CCCc1nc(C)c(C(=O)OCC)s1.
What is the InChIKey of ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate?
The InChIKey is WGGRSWZCMLAUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-4-6-8-11-7(3)9(14-8)10(12)13-5-2/h4-6H2,1-3H3.
What are the key properties of ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-propyl-1,3-thiazole-5-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 4-methyl-2-propyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 70144784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).