(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C4H8N2S — CID 7067727

IUPAC(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESC[C@H]1CN=C(N)S1
InChIInChI=1S/C4H8N2S/c1-3-2-6-4(5)7-3/h3H,2H2,1H3,(H2,5,6)/t3-/m0/s1
InChIKeyIKFLLHVVKJTHAH-VKHMYHEASA-N
MW116.19 g/mol
LogP0.44
Rot. Bonds

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

(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 7067727) has the molecular formula C4H8N2S and a molecular weight of 116.19 g/mol. Its IUPAC name is (5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID7067727
Molecular FormulaC4H8N2S
Molecular Weight116.19 g/mol
Exact Mass116.04
IUPAC Name(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESC[C@H]1CN=C(N)S1
InChIInChI=1S/C4H8N2S/c1-3-2-6-4(5)7-3/h3H,2H2,1H3,(H2,5,6)/t3-/m0/s1
InChIKeyIKFLLHVVKJTHAH-VKHMYHEASA-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 (5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 7067727) is (5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is C[C@H]1CN=C(N)S1.
What is the InChIKey of (5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is IKFLLHVVKJTHAH-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8N2S/c1-3-2-6-4(5)7-3/h3H,2H2,1H3,(H2,5,6)/t3-/m0/s1.
What are the key properties of (5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
(5S)-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 (5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 7067727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).