2-amino-2-(1,3-thiazol-2-yl)acetonitrile

C5H5N3S — CID 22329416

IUPAC2-amino-2-(1,3-thiazol-2-yl)acetonitrile
SMILESN#CC(N)c1nccs1
InChIInChI=1S/C5H5N3S/c6-3-4(7)5-8-1-2-9-5/h1-2,4H,7H2
InChIKeyAMBSMQQXYCRUSJ-UHFFFAOYSA-N
MW139.18 g/mol
LogP0.67
Rot. Bonds1

About 2-amino-2-(1,3-thiazol-2-yl)acetonitrile

2-amino-2-(1,3-thiazol-2-yl)acetonitrile (PubChem CID 22329416) has the molecular formula C5H5N3S and a molecular weight of 139.18 g/mol. Its IUPAC name is 2-amino-2-(1,3-thiazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(1,3-thiazol-2-yl)acetonitrile
PubChem CID22329416
Molecular FormulaC5H5N3S
Molecular Weight139.18 g/mol
Exact Mass139.02
IUPAC Name2-amino-2-(1,3-thiazol-2-yl)acetonitrile
SMILESN#CC(N)c1nccs1
InChIInChI=1S/C5H5N3S/c6-3-4(7)5-8-1-2-9-5/h1-2,4H,7H2
InChIKeyAMBSMQQXYCRUSJ-UHFFFAOYSA-N
XLogP0.67
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-(1,3-thiazol-2-yl)propanenitrile
CID 63216141
3-hydroxy-3-(1,3-thiazol-2-yl)propanenitrile
CID 119082530
hydroxysulfanyl(1,3-thiazol-2-yl)methanamine
CID 143542329
(1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine
CID 92669809
(2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol
CID 96733513
ethane;1-(1,3-thiazol-2-yl)propan-1-amine
CID 170585159
2-(2-hydroxyethoxy)-2-(1,3-thiazol-2-yl)acetonitrile
CID 103375863
(2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid
CID 22823511
(1S,2S,3R)-2-amino-1-(1,3-thiazol-2-yl)butane-1,3-diol
CID 10607650
(1S)-2-amino-1-(1,3-thiazol-2-yl)ethanol
CID 83004028
2-(1-iodoethyl)-1,3-thiazole
CID 89231680
3-amino-2-(1,3-thiazol-2-yl)propan-1-ol
CID 63216153

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1,3-thiazol-2-yl)acetonitrile?
The IUPAC name of 2-amino-2-(1,3-thiazol-2-yl)acetonitrile (CID 22329416) is 2-amino-2-(1,3-thiazol-2-yl)acetonitrile.
What is the SMILES notation for 2-amino-2-(1,3-thiazol-2-yl)acetonitrile?
The canonical SMILES for 2-amino-2-(1,3-thiazol-2-yl)acetonitrile is N#CC(N)c1nccs1.
What is the InChIKey of 2-amino-2-(1,3-thiazol-2-yl)acetonitrile?
The InChIKey is AMBSMQQXYCRUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3S/c6-3-4(7)5-8-1-2-9-5/h1-2,4H,7H2.
What are the key properties of 2-amino-2-(1,3-thiazol-2-yl)acetonitrile?
2-amino-2-(1,3-thiazol-2-yl)acetonitrile has a molecular weight of 139.18 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1,3-thiazol-2-yl)acetonitrile is sourced from PubChem (CID 22329416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).