5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C4H8N2S — CID 544920

IUPAC5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(N)S1
InChIInChI=1S/C4H8N2S/c1-3-2-6-4(5)7-3/h3H,2H2,1H3,(H2,5,6)
InChIKeyIKFLLHVVKJTHAH-UHFFFAOYSA-N
MW116.19 g/mol
LogP0.44
Rot. Bonds

About 5-methyl-4,5-dihydro-1,3-thiazol-2-amine

5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 544920) has the molecular formula C4H8N2S and a molecular weight of 116.19 g/mol. Its IUPAC name is 5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID544920
Molecular FormulaC4H8N2S
Molecular Weight116.19 g/mol
Exact Mass116.04
IUPAC Name5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(N)S1
InChIInChI=1S/C4H8N2S/c1-3-2-6-4(5)7-3/h3H,2H2,1H3,(H2,5,6)
InChIKeyIKFLLHVVKJTHAH-UHFFFAOYSA-N
XLogP0.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 544920) is 5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(N)S1.
What is the InChIKey of 5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is IKFLLHVVKJTHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S/c1-3-2-6-4(5)7-3/h3H,2H2,1H3,(H2,5,6).
What are the key properties of 5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 116.19 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 544920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).