2-amino-1,3-thiazole-5-carbonitrile

C4H3N3S — CID 10057507

IUPAC2-amino-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(N)s1
InChIInChI=1S/C4H3N3S/c5-1-3-2-7-4(6)8-3/h2H,(H2,6,7)
InChIKeyYJTBHWXNEMGNDC-UHFFFAOYSA-N
MW125.16 g/mol
LogP0.60
Rot. Bonds

About 2-amino-1,3-thiazole-5-carbonitrile

2-amino-1,3-thiazole-5-carbonitrile (PubChem CID 10057507) has the molecular formula C4H3N3S and a molecular weight of 125.16 g/mol. Its IUPAC name is 2-amino-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-1,3-thiazole-5-carbonitrile
PubChem CID10057507
Molecular FormulaC4H3N3S
Molecular Weight125.16 g/mol
Exact Mass125.00
IUPAC Name2-amino-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(N)s1
InChIInChI=1S/C4H3N3S/c5-1-3-2-7-4(6)8-3/h2H,(H2,6,7)
InChIKeyYJTBHWXNEMGNDC-UHFFFAOYSA-N
XLogP0.60
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.16
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-amino-1,3-thiazole-5-carbonitrile (CID 10057507) is 2-amino-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-amino-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-amino-1,3-thiazole-5-carbonitrile is N#Cc1cnc(N)s1.
What is the InChIKey of 2-amino-1,3-thiazole-5-carbonitrile?
The InChIKey is YJTBHWXNEMGNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3S/c5-1-3-2-7-4(6)8-3/h2H,(H2,6,7).
What are the key properties of 2-amino-1,3-thiazole-5-carbonitrile?
2-amino-1,3-thiazole-5-carbonitrile has a molecular weight of 125.16 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 10057507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).