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

C9H13NO2S — CID 115422950

IUPACmethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
SMILESCCCc1nc(C(=O)OC)c(C)s1
InChIInChI=1S/C9H13NO2S/c1-4-5-7-10-8(6(2)13-7)9(11)12-3/h4-5H2,1-3H3
InChIKeyMRINXXQDDFIBPF-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.19
Rot. Bonds3

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

methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate (PubChem CID 115422950) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
PubChem CID115422950
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Namemethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
SMILESCCCc1nc(C(=O)OC)c(C)s1
InChIInChI=1S/C9H13NO2S/c1-4-5-7-10-8(6(2)13-7)9(11)12-3/h4-5H2,1-3H3
InChIKeyMRINXXQDDFIBPF-UHFFFAOYSA-N
XLogP2.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate (CID 115422950) is methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate is CCCc1nc(C(=O)OC)c(C)s1.
What is the InChIKey of methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate?
The InChIKey is MRINXXQDDFIBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-4-5-7-10-8(6(2)13-7)9(11)12-3/h4-5H2,1-3H3.
What are the key properties of methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate has a molecular weight of 199.27 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115422950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).