2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidin-1-yl]acetic acid

C16H18N6O3S — CID 87696675

IUPAC2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidin-1-yl]acetic acid
SMILESCc1nc(Nc2ncc(C#N)s2)cc(OC2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C16H18N6O3S/c1-10-19-13(21-16-18-8-12(7-17)26-16)6-14(20-10)25-11-2-4-22(5-3-11)9-15(23)24/h6,8,11H,2-5,9H2,1H3,(H,23,24)(H,18,19,20,21)
InChIKeyXFEDINTVWPMKHY-UHFFFAOYSA-N
MW374.43 g/mol
LogP1.78
Rot. Bonds6

About 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidin-1-yl]acetic acid

2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidin-1-yl]acetic acid (PubChem CID 87696675) has the molecular formula C16H18N6O3S and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidin-1-yl]acetic acid
PubChem CID87696675
Molecular FormulaC16H18N6O3S
Molecular Weight374.43 g/mol
Exact Mass374.12
IUPAC Name2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidin-1-yl]acetic acid
SMILESCc1nc(Nc2ncc(C#N)s2)cc(OC2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C16H18N6O3S/c1-10-19-13(21-16-18-8-12(7-17)26-16)6-14(20-10)25-11-2-4-22(5-3-11)9-15(23)24/h6,8,11H,2-5,9H2,1H3,(H,23,24)(H,18,19,20,21)
InChIKeyXFEDINTVWPMKHY-UHFFFAOYSA-N
XLogP1.78
TPSA124.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidin-1-yl]acetic acid with MolForge

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Related Compounds

2-tert-butyl-4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 87696576
2-tert-butyl-4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 87695655
6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidine-4-carboxylic acid
CID 72550517
4-[4-chloro-6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]sulfanylpiperidine-1-carboxylic acid
CID 87256387
2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 18506929
4-[4-[(5-cyano-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylpiperidine-1-carboxylic acid
CID 87256398
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrile
CID 142892805
N-[4-[4-[(5-cyano-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]oxybut-2-ynyl]prop-2-enamide
CID 88968475
2-[[6-[hydroxy(methoxy)methyl]-2-[2-(4-methylphenyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
CID 126624808
N-(5-cyano-1,3-thiazol-2-yl)-2-(3,5-dimethylphenyl)pyrrolidine-1-carboxamide
CID 166280871
2-[(6-aminooxy-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 168901930
2-[[4-(hydroxymethyl)-5-methyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 22504291

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidin-1-yl]acetic acid (CID 87696675) is 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidin-1-yl]acetic acid is Cc1nc(Nc2ncc(C#N)s2)cc(OC2CCN(CC(=O)O)CC2)n1.
What is the InChIKey of 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidin-1-yl]acetic acid?
The InChIKey is XFEDINTVWPMKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3S/c1-10-19-13(21-16-18-8-12(7-17)26-16)6-14(20-10)25-11-2-4-22(5-3-11)9-15(23)24/h6,8,11H,2-5,9H2,1H3,(H,23,24)(H,18,19,20,21).
What are the key properties of 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidin-1-yl]acetic acid?
2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidin-1-yl]acetic acid has a molecular weight of 374.43 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidin-1-yl]acetic acid is sourced from PubChem (CID 87696675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).