1,3-thiazole-2,5-diamine

C3H5N3S — CID 15208336

IUPAC1,3-thiazole-2,5-diamine
SMILESNc1cnc(N)s1
InChIInChI=1S/C3H5N3S/c4-2-1-6-3(5)7-2/h1H,4H2,(H2,5,6)
InChIKeyZHMRGFNMPNFNPW-UHFFFAOYSA-N
MW115.16 g/mol
LogP0.31
Rot. Bonds

About 1,3-thiazole-2,5-diamine

1,3-thiazole-2,5-diamine (PubChem CID 15208336) has the molecular formula C3H5N3S and a molecular weight of 115.16 g/mol. Its IUPAC name is 1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name1,3-thiazole-2,5-diamine
PubChem CID15208336
Molecular FormulaC3H5N3S
Molecular Weight115.16 g/mol
Exact Mass115.02
IUPAC Name1,3-thiazole-2,5-diamine
SMILESNc1cnc(N)s1
InChIInChI=1S/C3H5N3S/c4-2-1-6-3(5)7-2/h1H,4H2,(H2,5,6)
InChIKeyZHMRGFNMPNFNPW-UHFFFAOYSA-N
XLogP0.31
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole-2,5-diamine?
The IUPAC name of 1,3-thiazole-2,5-diamine (CID 15208336) is 1,3-thiazole-2,5-diamine.
What is the SMILES notation for 1,3-thiazole-2,5-diamine?
The canonical SMILES for 1,3-thiazole-2,5-diamine is Nc1cnc(N)s1.
What is the InChIKey of 1,3-thiazole-2,5-diamine?
The InChIKey is ZHMRGFNMPNFNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3S/c4-2-1-6-3(5)7-2/h1H,4H2,(H2,5,6).
What are the key properties of 1,3-thiazole-2,5-diamine?
1,3-thiazole-2,5-diamine has a molecular weight of 115.16 g/mol, XLogP of 0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole-2,5-diamine is sourced from PubChem (CID 15208336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).