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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Related Compounds

2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 21132139
2-[3-[(4-acetylpiperazin-1-yl)methyl]-5-methylanilino]-1,3-thiazole-5-carbonitrile
CID 11508686
1-[[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]methyl]pyrrolidin-3-ol
CID 87812835
2-[[6-[[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 175659770
2-[[3-fluoro-4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 21132155
1-[[2-(3-bromo-2-chloroanilino)-4-pyridinyl]methyl]pyrrolidin-3-ol
CID 175067573
2-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;ethane;sulfane
CID 142145219
2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]-2-methylpyrimidin-4-yl]oxypiperidin-1-yl]acetic acid
CID 87696675
2-[[4-(hydroxymethyl)-5-methyl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 22504291
4-[[4-(pyrrolidin-1-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol
CID 53380351
(2S,3S,4S,5R)-6-[(5-cyano-1,3-thiazol-2-yl)-[4-[[4-(methylcarbamoyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 11410038
2-[[6-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 132778397

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).