1,3-thiazol-4-amine

C3H4N2S — CID 14009640

IUPAC1,3-thiazol-4-amine
SMILESNc1cscn1
InChIInChI=1S/C3H4N2S/c4-3-1-6-2-5-3/h1-2H,4H2
InChIKeyQHHHLHCCVDMOJI-UHFFFAOYSA-N
MW100.15 g/mol
LogP0.73
Rot. Bonds

About 1,3-thiazol-4-amine

1,3-thiazol-4-amine (PubChem CID 14009640) has the molecular formula C3H4N2S and a molecular weight of 100.15 g/mol. Its IUPAC name is 1,3-thiazol-4-amine.

Molecular Properties

Compound Name1,3-thiazol-4-amine
PubChem CID14009640
Molecular FormulaC3H4N2S
Molecular Weight100.15 g/mol
Exact Mass100.01
IUPAC Name1,3-thiazol-4-amine
SMILESNc1cscn1
InChIInChI=1S/C3H4N2S/c4-3-1-6-2-5-3/h1-2H,4H2
InChIKeyQHHHLHCCVDMOJI-UHFFFAOYSA-N
XLogP0.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.15
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-amine?
The IUPAC name of 1,3-thiazol-4-amine (CID 14009640) is 1,3-thiazol-4-amine.
What is the SMILES notation for 1,3-thiazol-4-amine?
The canonical SMILES for 1,3-thiazol-4-amine is Nc1cscn1.
What is the InChIKey of 1,3-thiazol-4-amine?
The InChIKey is QHHHLHCCVDMOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S/c4-3-1-6-2-5-3/h1-2H,4H2.
What are the key properties of 1,3-thiazol-4-amine?
1,3-thiazol-4-amine has a molecular weight of 100.15 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-amine is sourced from PubChem (CID 14009640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).