5-methyl-4-prop-1-enyl-2,3-dihydro-1,3-thiazol-3-ium-2-amine

C7H13N2S+ — CID 163458975

IUPAC5-methyl-4-prop-1-enyl-2,3-dihydro-1,3-thiazol-3-ium-2-amine
SMILESCC=CC1=C(C)SC(N)[NH2+]1
InChIInChI=1S/C7H12N2S/c1-3-4-6-5(2)10-7(8)9-6/h3-4,7,9H,8H2,1-2H3/p+1
InChIKeyBMXRUSXAGKHIRZ-UHFFFAOYSA-O
MW157.26 g/mol
LogP0.35
Rot. Bonds1

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

5-methyl-4-prop-1-enyl-2,3-dihydro-1,3-thiazol-3-ium-2-amine (PubChem CID 163458975) has the molecular formula C7H13N2S+ and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-methyl-4-prop-1-enyl-2,3-dihydro-1,3-thiazol-3-ium-2-amine.

Molecular Properties

Compound Name5-methyl-4-prop-1-enyl-2,3-dihydro-1,3-thiazol-3-ium-2-amine
PubChem CID163458975
Molecular FormulaC7H13N2S+
Molecular Weight157.26 g/mol
Exact Mass157.08
IUPAC Name5-methyl-4-prop-1-enyl-2,3-dihydro-1,3-thiazol-3-ium-2-amine
SMILESCC=CC1=C(C)SC(N)[NH2+]1
InChIInChI=1S/C7H12N2S/c1-3-4-6-5(2)10-7(8)9-6/h3-4,7,9H,8H2,1-2H3/p+1
InChIKeyBMXRUSXAGKHIRZ-UHFFFAOYSA-O
XLogP0.35
TPSA42.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-prop-1-enyl-2,3-dihydro-1,3-thiazol-3-ium-2-amine?
The IUPAC name of 5-methyl-4-prop-1-enyl-2,3-dihydro-1,3-thiazol-3-ium-2-amine (CID 163458975) is 5-methyl-4-prop-1-enyl-2,3-dihydro-1,3-thiazol-3-ium-2-amine.
What is the SMILES notation for 5-methyl-4-prop-1-enyl-2,3-dihydro-1,3-thiazol-3-ium-2-amine?
The canonical SMILES for 5-methyl-4-prop-1-enyl-2,3-dihydro-1,3-thiazol-3-ium-2-amine is CC=CC1=C(C)SC(N)[NH2+]1.
What is the InChIKey of 5-methyl-4-prop-1-enyl-2,3-dihydro-1,3-thiazol-3-ium-2-amine?
The InChIKey is BMXRUSXAGKHIRZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12N2S/c1-3-4-6-5(2)10-7(8)9-6/h3-4,7,9H,8H2,1-2H3/p+1.
What are the key properties of 5-methyl-4-prop-1-enyl-2,3-dihydro-1,3-thiazol-3-ium-2-amine?
5-methyl-4-prop-1-enyl-2,3-dihydro-1,3-thiazol-3-ium-2-amine has a molecular weight of 157.26 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-prop-1-enyl-2,3-dihydro-1,3-thiazol-3-ium-2-amine is sourced from PubChem (CID 163458975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).