4-methyl-1,3-thiazole-2,5-diamine

C4H7N3S — CID 19862859

IUPAC4-methyl-1,3-thiazole-2,5-diamine
SMILESCc1nc(N)sc1N
InChIInChI=1S/C4H7N3S/c1-2-3(5)8-4(6)7-2/h5H2,1H3,(H2,6,7)
InChIKeyLOKDVMWTEJZRAV-UHFFFAOYSA-N
MW129.19 g/mol
LogP0.62
Rot. Bonds

About 4-methyl-1,3-thiazole-2,5-diamine

4-methyl-1,3-thiazole-2,5-diamine (PubChem CID 19862859) has the molecular formula C4H7N3S and a molecular weight of 129.19 g/mol. Its IUPAC name is 4-methyl-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name4-methyl-1,3-thiazole-2,5-diamine
PubChem CID19862859
Molecular FormulaC4H7N3S
Molecular Weight129.19 g/mol
Exact Mass129.04
IUPAC Name4-methyl-1,3-thiazole-2,5-diamine
SMILESCc1nc(N)sc1N
InChIInChI=1S/C4H7N3S/c1-2-3(5)8-4(6)7-2/h5H2,1H3,(H2,6,7)
InChIKeyLOKDVMWTEJZRAV-UHFFFAOYSA-N
XLogP0.62
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.19
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-thiazole-2,5-diamine?
The IUPAC name of 4-methyl-1,3-thiazole-2,5-diamine (CID 19862859) is 4-methyl-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 4-methyl-1,3-thiazole-2,5-diamine?
The canonical SMILES for 4-methyl-1,3-thiazole-2,5-diamine is Cc1nc(N)sc1N.
What is the InChIKey of 4-methyl-1,3-thiazole-2,5-diamine?
The InChIKey is LOKDVMWTEJZRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S/c1-2-3(5)8-4(6)7-2/h5H2,1H3,(H2,6,7).
What are the key properties of 4-methyl-1,3-thiazole-2,5-diamine?
4-methyl-1,3-thiazole-2,5-diamine has a molecular weight of 129.19 g/mol, XLogP of 0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 19862859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).