propan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate

C16H15N5O2S — CID 134141484

IUPACpropan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
SMILESCC(C)OC(=O)c1sc(Nc2ncccn2)nc1-c1ccccn1
InChIInChI=1S/C16H15N5O2S/c1-10(2)23-14(22)13-12(11-6-3-4-7-17-11)20-16(24-13)21-15-18-8-5-9-19-15/h3-10H,1-2H3,(H,18,19,20,21)
InChIKeyLFSZDBORWAVQDK-UHFFFAOYSA-N
MW341.40 g/mol
LogP3.30
Rot. Bonds5

About propan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate

propan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate (PubChem CID 134141484) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is propan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
PubChem CID134141484
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Namepropan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
SMILESCC(C)OC(=O)c1sc(Nc2ncccn2)nc1-c1ccccn1
InChIInChI=1S/C16H15N5O2S/c1-10(2)23-14(22)13-12(11-6-3-4-7-17-11)20-16(24-13)21-15-18-8-5-9-19-15/h3-10H,1-2H3,(H,18,19,20,21)
InChIKeyLFSZDBORWAVQDK-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of propan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate (CID 134141484) is propan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for propan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for propan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate is CC(C)OC(=O)c1sc(Nc2ncccn2)nc1-c1ccccn1.
What is the InChIKey of propan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is LFSZDBORWAVQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-10(2)23-14(22)13-12(11-6-3-4-7-17-11)20-16(24-13)21-15-18-8-5-9-19-15/h3-10H,1-2H3,(H,18,19,20,21).
What are the key properties of propan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate?
propan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 341.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 134141484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).