1,3-thiazol-5-ylmethanamine

C4H6N2S — CID 5304077

IUPAC1,3-thiazol-5-ylmethanamine
SMILESNCc1cncs1
InChIInChI=1S/C4H6N2S/c5-1-4-2-6-3-7-4/h2-3H,1,5H2
InChIKeyXDNQVUAKCAPBIG-UHFFFAOYSA-N
MW114.17 g/mol
LogP0.60
Rot. Bonds1

About 1,3-thiazol-5-ylmethanamine

1,3-thiazol-5-ylmethanamine (PubChem CID 5304077) has the molecular formula C4H6N2S and a molecular weight of 114.17 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethanamine.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethanamine
PubChem CID5304077
Molecular FormulaC4H6N2S
Molecular Weight114.17 g/mol
Exact Mass114.03
IUPAC Name1,3-thiazol-5-ylmethanamine
SMILESNCc1cncs1
InChIInChI=1S/C4H6N2S/c5-1-4-2-6-3-7-4/h2-3H,1,5H2
InChIKeyXDNQVUAKCAPBIG-UHFFFAOYSA-N
XLogP0.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethanamine?
The IUPAC name of 1,3-thiazol-5-ylmethanamine (CID 5304077) is 1,3-thiazol-5-ylmethanamine.
What is the SMILES notation for 1,3-thiazol-5-ylmethanamine?
The canonical SMILES for 1,3-thiazol-5-ylmethanamine is NCc1cncs1.
What is the InChIKey of 1,3-thiazol-5-ylmethanamine?
The InChIKey is XDNQVUAKCAPBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S/c5-1-4-2-6-3-7-4/h2-3H,1,5H2.
What are the key properties of 1,3-thiazol-5-ylmethanamine?
1,3-thiazol-5-ylmethanamine has a molecular weight of 114.17 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethanamine is sourced from PubChem (CID 5304077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).