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

C9H10ClN3OS — CID 47277215

IUPAC3-chloro-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1N1CCCC(O)C1
InChIInChI=1S/C9H10ClN3OS/c10-8-7(4-11)9(15-12-8)13-3-1-2-6(14)5-13/h6,14H,1-3,5H2
InChIKeyVTDNEOJFMKDZEA-UHFFFAOYSA-N
MW243.72 g/mol
LogP1.63
Rot. Bonds1

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

3-chloro-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carbonitrile (PubChem CID 47277215) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 3-chloro-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carbonitrile
PubChem CID47277215
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name3-chloro-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1N1CCCC(O)C1
InChIInChI=1S/C9H10ClN3OS/c10-8-7(4-11)9(15-12-8)13-3-1-2-6(14)5-13/h6,14H,1-3,5H2
InChIKeyVTDNEOJFMKDZEA-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carbonitrile (CID 47277215) is 3-chloro-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carbonitrile is N#Cc1c(Cl)nsc1N1CCCC(O)C1.
What is the InChIKey of 3-chloro-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carbonitrile?
The InChIKey is VTDNEOJFMKDZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c10-8-7(4-11)9(15-12-8)13-3-1-2-6(14)5-13/h6,14H,1-3,5H2.
What are the key properties of 3-chloro-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carbonitrile?
3-chloro-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-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 3-chloro-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 47277215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).