ethyl 2-(4-amino-2-methylpyrimidin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylate

C14H18N4O2S — CID 114358756

IUPACethyl 2-(4-amino-2-methylpyrimidin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2cnc(C)nc2N)nc1C(C)C
InChIInChI=1S/C14H18N4O2S/c1-5-20-14(19)11-10(7(2)3)18-13(21-11)9-6-16-8(4)17-12(9)15/h6-7H,5H2,1-4H3,(H2,15,16,17)
InChIKeyIVMXCBBPUUGLPF-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.79
Rot. Bonds4

About ethyl 2-(4-amino-2-methylpyrimidin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylate

ethyl 2-(4-amino-2-methylpyrimidin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 114358756) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is ethyl 2-(4-amino-2-methylpyrimidin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-amino-2-methylpyrimidin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylate
PubChem CID114358756
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Nameethyl 2-(4-amino-2-methylpyrimidin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2cnc(C)nc2N)nc1C(C)C
InChIInChI=1S/C14H18N4O2S/c1-5-20-14(19)11-10(7(2)3)18-13(21-11)9-6-16-8(4)17-12(9)15/h6-7H,5H2,1-4H3,(H2,15,16,17)
InChIKeyIVMXCBBPUUGLPF-UHFFFAOYSA-N
XLogP2.79
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-5-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]pyrimidin-4-amine
CID 114868289
diethyl 5-amino-3-propan-2-ylthiophene-2,4-dicarboxylate
CID 42656877
ethyl 2-piperazin-1-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate
CID 57037408
ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate
CID 22831820
2-methyl-4-propan-2-ylpyrimidin-5-amine
CID 82372486
ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 86277528
ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 14801951
ethyl 4-(2-ethyl-3-methylbutyl)-2-phenyl-1,3-thiazole-5-carboxylate
CID 91005823
ethyl 4-amino-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate;hydrochloride
CID 71610364
ethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate
CID 2740342
ethyl 2-(2-chlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate
CID 2737429
ethyl 4-amino-2-(1-ethoxy-1-oxopropan-2-yl)sulfanylpyrimidine-5-carboxylate
CID 78987540

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-2-methylpyrimidin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(4-amino-2-methylpyrimidin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylate (CID 114358756) is ethyl 2-(4-amino-2-methylpyrimidin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-amino-2-methylpyrimidin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(4-amino-2-methylpyrimidin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2cnc(C)nc2N)nc1C(C)C.
What is the InChIKey of ethyl 2-(4-amino-2-methylpyrimidin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is IVMXCBBPUUGLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-5-20-14(19)11-10(7(2)3)18-13(21-11)9-6-16-8(4)17-12(9)15/h6-7H,5H2,1-4H3,(H2,15,16,17).
What are the key properties of ethyl 2-(4-amino-2-methylpyrimidin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylate?
ethyl 2-(4-amino-2-methylpyrimidin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 306.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-2-methylpyrimidin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 114358756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).