methyl 1-(1,3-thiazol-2-yl)-4H-pyrimidine-5-carboxylate

C9H9N3O2S — CID 129104085

IUPACmethyl 1-(1,3-thiazol-2-yl)-4H-pyrimidine-5-carboxylate
SMILESCOC(=O)C1=CN(c2nccs2)C=NC1
InChIInChI=1S/C9H9N3O2S/c1-14-8(13)7-4-10-6-12(5-7)9-11-2-3-15-9/h2-3,5-6H,4H2,1H3
InChIKeyJGQXJZUVLOSPMD-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.05
Rot. Bonds2

About methyl 1-(1,3-thiazol-2-yl)-4H-pyrimidine-5-carboxylate

methyl 1-(1,3-thiazol-2-yl)-4H-pyrimidine-5-carboxylate (PubChem CID 129104085) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is methyl 1-(1,3-thiazol-2-yl)-4H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1,3-thiazol-2-yl)-4H-pyrimidine-5-carboxylate
PubChem CID129104085
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Namemethyl 1-(1,3-thiazol-2-yl)-4H-pyrimidine-5-carboxylate
SMILESCOC(=O)C1=CN(c2nccs2)C=NC1
InChIInChI=1S/C9H9N3O2S/c1-14-8(13)7-4-10-6-12(5-7)9-11-2-3-15-9/h2-3,5-6H,4H2,1H3
InChIKeyJGQXJZUVLOSPMD-UHFFFAOYSA-N
XLogP1.05
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[(3aS,5S,6S,7aR)-6-hydroxy-2-(1,3-thiazol-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]oxy]benzoate
CID 172665126
3-(1,3-thiazol-2-yl)-7H-pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 67026510
methyl 5-nitro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzoate
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methyl 2-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]but-2-enoate
CID 77074608
ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate
CID 43445563
dimethyl 5-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylamino]benzene-1,3-dicarboxylate
CID 167792114
methyl 2-methyl-5-oxo-6-(1,3-thiazol-2-yl)-1,6-naphthyridine-3-carboxylate
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5-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 115423373
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
methyl 3,5-dichloro-2-[[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetyl]amino]benzoate
CID 36597434
methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate
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methyl 4,5-dihydro-1-benzothiophene-6-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1,3-thiazol-2-yl)-4H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 1-(1,3-thiazol-2-yl)-4H-pyrimidine-5-carboxylate (CID 129104085) is methyl 1-(1,3-thiazol-2-yl)-4H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 1-(1,3-thiazol-2-yl)-4H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 1-(1,3-thiazol-2-yl)-4H-pyrimidine-5-carboxylate is COC(=O)C1=CN(c2nccs2)C=NC1.
What is the InChIKey of methyl 1-(1,3-thiazol-2-yl)-4H-pyrimidine-5-carboxylate?
The InChIKey is JGQXJZUVLOSPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-14-8(13)7-4-10-6-12(5-7)9-11-2-3-15-9/h2-3,5-6H,4H2,1H3.
What are the key properties of methyl 1-(1,3-thiazol-2-yl)-4H-pyrimidine-5-carboxylate?
methyl 1-(1,3-thiazol-2-yl)-4H-pyrimidine-5-carboxylate has a molecular weight of 223.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1,3-thiazol-2-yl)-4H-pyrimidine-5-carboxylate is sourced from PubChem (CID 129104085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).