3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoic acid

C15H13N5O2S — CID 134153249

IUPAC3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoic acid
SMILESO=C(O)CCc1sc(Nc2ncccn2)nc1-c1ccccn1
InChIInChI=1S/C15H13N5O2S/c21-12(22)6-5-11-13(10-4-1-2-7-16-10)19-15(23-11)20-14-17-8-3-9-18-14/h1-4,7-9H,5-6H2,(H,21,22)(H,17,18,19,20)
InChIKeyQFTCRLIYTGHSFA-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.76
Rot. Bonds6

About 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoic acid

3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoic acid (PubChem CID 134153249) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoic acid
PubChem CID134153249
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoic acid
SMILESO=C(O)CCc1sc(Nc2ncccn2)nc1-c1ccccn1
InChIInChI=1S/C15H13N5O2S/c21-12(22)6-5-11-13(10-4-1-2-7-16-10)19-15(23-11)20-14-17-8-3-9-18-14/h1-4,7-9H,5-6H2,(H,21,22)(H,17,18,19,20)
InChIKeyQFTCRLIYTGHSFA-UHFFFAOYSA-N
XLogP2.76
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 4-(pyridin-2-yl)-2-(pyrimidin-2-ylamino)thiazole-5-carboxylate
CID 71549255
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
4-(Pyridin-2-yl)-2-(pyrimidin-2-ylamino)thiazole-5-carboxylic acid
CID 86732530
Ethyl 2-[4-pyridin-2-yl-2-(pyrimidin-2-ylmethylamino)-1,3-thiazol-5-yl]acetate
CID 134155901
2-(2-{[2-(1,3-Thiazol-4-yl)ethyl]amino}pyrimidin-4-yl)isonicotinic acid
CID 70768554
3-[2-[(3-Methylphenyl)amino]-4-(4-pyridinyl)-1,3-thiazol-5-yl]propanoic Acid
CID 44818114
4-[Methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxylic acid
CID 58706557
2-[1-[5-[6-(Pyrimidin-2-ylamino)-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]acetic acid
CID 58706622
5-[[5-[6-[(4-Methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]pentanoic acid
CID 58706823
(4-(Pyridin-2-yl)-2-(pyrimidin-2-ylamino)thiazol-5-yl)methanol
CID 71549256
5-Ethyl-4-(pyridin-2-yl)-N-(pyrimidin-2-yl)thiazol-2-amine
CID 71549257

Frequently Asked Questions

What is the IUPAC name of 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoic acid (CID 134153249) is 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoic acid is O=C(O)CCc1sc(Nc2ncccn2)nc1-c1ccccn1.
What is the InChIKey of 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is QFTCRLIYTGHSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c21-12(22)6-5-11-13(10-4-1-2-7-16-10)19-15(23-11)20-14-17-8-3-9-18-14/h1-4,7-9H,5-6H2,(H,21,22)(H,17,18,19,20).
What are the key properties of 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoic acid?
3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 327.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 134153249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).