2-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propane-1,3-diol

C16H22N4O2S — CID 95823889

IUPAC2-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propane-1,3-diol
SMILESOCC(CO)N1CCC(c2csc(Nc3ccccn3)n2)CC1
InChIInChI=1S/C16H22N4O2S/c21-9-13(10-22)20-7-4-12(5-8-20)14-11-23-16(18-14)19-15-3-1-2-6-17-15/h1-3,6,11-13,21-22H,4-5,7-10H2,(H,17,18,19)
InChIKeyIWKZYNQRDJUURC-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.81
Rot. Bonds6

About 2-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propane-1,3-diol

2-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propane-1,3-diol (PubChem CID 95823889) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propane-1,3-diol
PubChem CID95823889
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name2-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propane-1,3-diol
SMILESOCC(CO)N1CCC(c2csc(Nc3ccccn3)n2)CC1
InChIInChI=1S/C16H22N4O2S/c21-9-13(10-22)20-7-4-12(5-8-20)14-11-23-16(18-14)19-15-3-1-2-6-17-15/h1-3,6,11-13,21-22H,4-5,7-10H2,(H,17,18,19)
InChIKeyIWKZYNQRDJUURC-UHFFFAOYSA-N
XLogP1.81
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propane-1,3-diol with MolForge

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Related Compounds

2-[(3R)-3-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propane-1,3-diol
CID 95844663
(3R)-3-[4-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]butan-1-ol
CID 95823903
2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 110270492
1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110270541
N-methyl-2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 175655316
4-(1-pyrazin-2-ylpyrrolidin-2-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 110270514
N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 155986742
3-(2-methyl-1,3-thiazol-4-yl)-1-[3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]prop-2-en-1-one
CID 171147302
1-[4-[2-[[4-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 24995592
1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 95828285
2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol
CID 95827934
1-[2-(pyridin-2-ylamino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 90509743

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propane-1,3-diol?
The IUPAC name of 2-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propane-1,3-diol (CID 95823889) is 2-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propane-1,3-diol.
What is the SMILES notation for 2-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propane-1,3-diol?
The canonical SMILES for 2-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propane-1,3-diol is OCC(CO)N1CCC(c2csc(Nc3ccccn3)n2)CC1.
What is the InChIKey of 2-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propane-1,3-diol?
The InChIKey is IWKZYNQRDJUURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c21-9-13(10-22)20-7-4-12(5-8-20)14-11-23-16(18-14)19-15-3-1-2-6-17-15/h1-3,6,11-13,21-22H,4-5,7-10H2,(H,17,18,19).
What are the key properties of 2-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propane-1,3-diol?
2-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propane-1,3-diol has a molecular weight of 334.44 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]propane-1,3-diol is sourced from PubChem (CID 95823889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).