4-methyl-1,3-thiazol-5-amine

C4H6N2S — CID 12531960

IUPAC4-methyl-1,3-thiazol-5-amine
SMILESCc1ncsc1N
InChIInChI=1S/C4H6N2S/c1-3-4(5)7-2-6-3/h2H,5H2,1H3
InChIKeyIQHFLJOHGQJKFL-UHFFFAOYSA-N
MW114.17 g/mol
LogP1.03
Rot. Bonds

About 4-methyl-1,3-thiazol-5-amine

4-methyl-1,3-thiazol-5-amine (PubChem CID 12531960) has the molecular formula C4H6N2S and a molecular weight of 114.17 g/mol. Its IUPAC name is 4-methyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-methyl-1,3-thiazol-5-amine
PubChem CID12531960
Molecular FormulaC4H6N2S
Molecular Weight114.17 g/mol
Exact Mass114.03
IUPAC Name4-methyl-1,3-thiazol-5-amine
SMILESCc1ncsc1N
InChIInChI=1S/C4H6N2S/c1-3-4(5)7-2-6-3/h2H,5H2,1H3
InChIKeyIQHFLJOHGQJKFL-UHFFFAOYSA-N
XLogP1.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-thiazol-5-amine?
The IUPAC name of 4-methyl-1,3-thiazol-5-amine (CID 12531960) is 4-methyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-methyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-methyl-1,3-thiazol-5-amine is Cc1ncsc1N.
What is the InChIKey of 4-methyl-1,3-thiazol-5-amine?
The InChIKey is IQHFLJOHGQJKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S/c1-3-4(5)7-2-6-3/h2H,5H2,1H3.
What are the key properties of 4-methyl-1,3-thiazol-5-amine?
4-methyl-1,3-thiazol-5-amine has a molecular weight of 114.17 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-thiazol-5-amine is sourced from PubChem (CID 12531960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).