ethyl 4-(3-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate

C16H15N5O2S — CID 134137559

IUPACethyl 4-(3-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ncccn2)nc1-c1ncccc1C
InChIInChI=1S/C16H15N5O2S/c1-3-23-14(22)13-12(11-10(2)6-4-7-17-11)20-16(24-13)21-15-18-8-5-9-19-15/h4-9H,3H2,1-2H3,(H,18,19,20,21)
InChIKeyBQWMVYNMEGBFOM-UHFFFAOYSA-N
MW341.40 g/mol
LogP3.22
Rot. Bonds5

About ethyl 4-(3-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate

ethyl 4-(3-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate (PubChem CID 134137559) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is ethyl 4-(3-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
PubChem CID134137559
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Nameethyl 4-(3-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ncccn2)nc1-c1ncccc1C
InChIInChI=1S/C16H15N5O2S/c1-3-23-14(22)13-12(11-10(2)6-4-7-17-11)20-16(24-13)21-15-18-8-5-9-19-15/h4-9H,3H2,1-2H3,(H,18,19,20,21)
InChIKeyBQWMVYNMEGBFOM-UHFFFAOYSA-N
XLogP3.22
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Ethyl 4-(pyridin-2-yl)-2-(pyrimidin-2-ylamino)thiazole-5-carboxylate
CID 71549255
Propan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134141484
Ethyl 4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134143796
Propan-2-yl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl-pyrimidin-2-ylamino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 134153310
Ethyl 2-(pyrimidin-2-ylamino)-4-[4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxylate
CID 134154875
Propan-2-yl 4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134156427
Ethyl 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoate
CID 134145577
Ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]acetate
CID 134148557
5-(ethoxymethyl)-4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 134154886
Propan-2-yl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134155117
Ethyl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134156838
Ethyl 1-ethyl-2,5-dimethyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxylate
CID 24246112

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-(3-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate (CID 134137559) is ethyl 4-(3-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(3-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-(3-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Nc2ncccn2)nc1-c1ncccc1C.
What is the InChIKey of ethyl 4-(3-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is BQWMVYNMEGBFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-3-23-14(22)13-12(11-10(2)6-4-7-17-11)20-16(24-13)21-15-18-8-5-9-19-15/h4-9H,3H2,1-2H3,(H,18,19,20,21).
What are the key properties of ethyl 4-(3-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate?
ethyl 4-(3-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 341.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 134137559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).