4-chloro-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carbonitrile

C9H10ClN3OS — CID 130174606

IUPAC4-chloro-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(N2CCC(O)CC2)nc1Cl
InChIInChI=1S/C9H10ClN3OS/c10-8-7(5-11)15-9(12-8)13-3-1-6(14)2-4-13/h6,14H,1-4H2
InChIKeyRGGZDSVASPLEAY-UHFFFAOYSA-N
MW243.72 g/mol
LogP1.63
Rot. Bonds1

About 4-chloro-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carbonitrile

4-chloro-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carbonitrile (PubChem CID 130174606) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 4-chloro-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carbonitrile
PubChem CID130174606
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name4-chloro-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(N2CCC(O)CC2)nc1Cl
InChIInChI=1S/C9H10ClN3OS/c10-8-7(5-11)15-9(12-8)13-3-1-6(14)2-4-13/h6,14H,1-4H2
InChIKeyRGGZDSVASPLEAY-UHFFFAOYSA-N
XLogP1.63
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(3-methylazetidin-1-yl)-1,3-thiazole-5-carbonitrile
CID 130621289
4-chloro-2-[3-(methylamino)piperidin-1-yl]-1,3-thiazole-5-carbonitrile
CID 106595966
4-chloro-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole-5-carbonitrile
CID 106595938
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol
CID 68709720
4-chloro-2-(2,5-dimethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile
CID 106596041
4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile
CID 21319839
4-chloro-2-(cyclopentylamino)-1,3-thiazole-5-carbonitrile
CID 106594988
4-chloro-2-(2,5-diethylpiperazin-1-yl)-1,3-thiazole-5-carbonitrile
CID 106596040
4-chloro-2-(cycloheptylamino)-1,3-thiazole-5-carbonitrile
CID 106595131
1-(3,5,6-trichloro-2-pyridinyl)piperidin-4-ol
CID 102750128
4-chloro-2-[2-(3,3-dimethylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1,3-thiazole-5-carbonitrile
CID 166384702
4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
CID 62492159

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carbonitrile (CID 130174606) is 4-chloro-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carbonitrile is N#Cc1sc(N2CCC(O)CC2)nc1Cl.
What is the InChIKey of 4-chloro-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carbonitrile?
The InChIKey is RGGZDSVASPLEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c10-8-7(5-11)15-9(12-8)13-3-1-6(14)2-4-13/h6,14H,1-4H2.
What are the key properties of 4-chloro-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carbonitrile?
4-chloro-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carbonitrile has a molecular weight of 243.72 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 130174606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).