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

C8H10N4S — CID 14171389

IUPAC3-amino-5-pyrrolidin-1-yl-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1N1CCCC1
InChIInChI=1S/C8H10N4S/c9-5-6-7(10)11-13-8(6)12-3-1-2-4-12/h1-4H2,(H2,10,11)
InChIKeyCCVCNMRMYWLTPW-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.20
Rot. Bonds1

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

3-amino-5-pyrrolidin-1-yl-1,2-thiazole-4-carbonitrile (PubChem CID 14171389) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 3-amino-5-pyrrolidin-1-yl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-pyrrolidin-1-yl-1,2-thiazole-4-carbonitrile
PubChem CID14171389
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name3-amino-5-pyrrolidin-1-yl-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1N1CCCC1
InChIInChI=1S/C8H10N4S/c9-5-6-7(10)11-13-8(6)12-3-1-2-4-12/h1-4H2,(H2,10,11)
InChIKeyCCVCNMRMYWLTPW-UHFFFAOYSA-N
XLogP1.20
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-pyrrolidin-1-yl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-pyrrolidin-1-yl-1,2-thiazole-4-carbonitrile (CID 14171389) is 3-amino-5-pyrrolidin-1-yl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-pyrrolidin-1-yl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-pyrrolidin-1-yl-1,2-thiazole-4-carbonitrile is N#Cc1c(N)nsc1N1CCCC1.
What is the InChIKey of 3-amino-5-pyrrolidin-1-yl-1,2-thiazole-4-carbonitrile?
The InChIKey is CCVCNMRMYWLTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c9-5-6-7(10)11-13-8(6)12-3-1-2-4-12/h1-4H2,(H2,10,11).
What are the key properties of 3-amino-5-pyrrolidin-1-yl-1,2-thiazole-4-carbonitrile?
3-amino-5-pyrrolidin-1-yl-1,2-thiazole-4-carbonitrile has a molecular weight of 194.26 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-pyrrolidin-1-yl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 14171389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).