methyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate

C10H11N3O2S — CID 115327950

IUPACmethyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccn(C)n2)nc1C
InChIInChI=1S/C10H11N3O2S/c1-6-8(10(14)15-3)16-9(11-6)7-4-5-13(2)12-7/h4-5H,1-3H3
InChIKeyIEOIJUPJPRACNY-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.64
Rot. Bonds2

About methyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate (PubChem CID 115327950) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is methyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate
PubChem CID115327950
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Namemethyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2ccn(C)n2)nc1C
InChIInChI=1S/C10H11N3O2S/c1-6-8(10(14)15-3)16-9(11-6)7-4-5-13(2)12-7/h4-5H,1-3H3
InChIKeyIEOIJUPJPRACNY-UHFFFAOYSA-N
XLogP1.64
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 78916354
methyl 4-methyl-2-(2H-triazol-4-yl)-1,3-thiazole-5-carboxylate
CID 130568901
2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 65195789
methyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 107124592
methyl 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole-5-carboxylate
CID 114078260
methyl 4-chloro-2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 79778588
4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 114360155
methyl 2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 115327916
methyl 12-methyl-4-(1-methylpyrazol-3-yl)-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 19334847
methyl 4-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazole-5-carboxylate
CID 115327986
4-methyl-2-[1-(2-phenylethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxylic acid
CID 123346434
methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate
CID 154752871

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate (CID 115327950) is methyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(-c2ccn(C)n2)nc1C.
What is the InChIKey of methyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is IEOIJUPJPRACNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-6-8(10(14)15-3)16-9(11-6)7-4-5-13(2)12-7/h4-5H,1-3H3.
What are the key properties of methyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 237.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 115327950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).