2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

C15H17N5OS — CID 18506929

IUPAC2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(Nc2cc(CN3CCC(O)CC3)ccn2)s1
InChIInChI=1S/C15H17N5OS/c16-8-13-9-18-15(22-13)19-14-7-11(1-4-17-14)10-20-5-2-12(21)3-6-20/h1,4,7,9,12,21H,2-3,5-6,10H2,(H,17,18,19)
InChIKeyUDFRKMAQAZLXCX-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.11
Rot. Bonds4

About 2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (PubChem CID 18506929) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
PubChem CID18506929
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(Nc2cc(CN3CCC(O)CC3)ccn2)s1
InChIInChI=1S/C15H17N5OS/c16-8-13-9-18-15(22-13)19-14-7-11(1-4-17-14)10-20-5-2-12(21)3-6-20/h1,4,7,9,12,21H,2-3,5-6,10H2,(H,17,18,19)
InChIKeyUDFRKMAQAZLXCX-UHFFFAOYSA-N
XLogP2.11
TPSA85.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (CID 18506929) is 2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is N#Cc1cnc(Nc2cc(CN3CCC(O)CC3)ccn2)s1.
What is the InChIKey of 2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The InChIKey is UDFRKMAQAZLXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c16-8-13-9-18-15(22-13)19-14-7-11(1-4-17-14)10-20-5-2-12(21)3-6-20/h1,4,7,9,12,21H,2-3,5-6,10H2,(H,17,18,19).
What are the key properties of 2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 315.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 18506929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).