3-amino-5-piperidin-1-yl-1,2-thiazole-4-carbonitrile

C9H12N4S — CID 14171388

IUPAC3-amino-5-piperidin-1-yl-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1N1CCCCC1
InChIInChI=1S/C9H12N4S/c10-6-7-8(11)12-14-9(7)13-4-2-1-3-5-13/h1-5H2,(H2,11,12)
InChIKeyMGBHWQQLXJQDOZ-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.59
Rot. Bonds1

About 3-amino-5-piperidin-1-yl-1,2-thiazole-4-carbonitrile

3-amino-5-piperidin-1-yl-1,2-thiazole-4-carbonitrile (PubChem CID 14171388) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 3-amino-5-piperidin-1-yl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-piperidin-1-yl-1,2-thiazole-4-carbonitrile
PubChem CID14171388
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name3-amino-5-piperidin-1-yl-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1N1CCCCC1
InChIInChI=1S/C9H12N4S/c10-6-7-8(11)12-14-9(7)13-4-2-1-3-5-13/h1-5H2,(H2,11,12)
InChIKeyMGBHWQQLXJQDOZ-UHFFFAOYSA-N
XLogP1.59
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-piperidin-1-yl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-piperidin-1-yl-1,2-thiazole-4-carbonitrile (CID 14171388) is 3-amino-5-piperidin-1-yl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-piperidin-1-yl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-piperidin-1-yl-1,2-thiazole-4-carbonitrile is N#Cc1c(N)nsc1N1CCCCC1.
What is the InChIKey of 3-amino-5-piperidin-1-yl-1,2-thiazole-4-carbonitrile?
The InChIKey is MGBHWQQLXJQDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c10-6-7-8(11)12-14-9(7)13-4-2-1-3-5-13/h1-5H2,(H2,11,12).
What are the key properties of 3-amino-5-piperidin-1-yl-1,2-thiazole-4-carbonitrile?
3-amino-5-piperidin-1-yl-1,2-thiazole-4-carbonitrile has a molecular weight of 208.29 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-piperidin-1-yl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 14171388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).