5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;hydrochloride

C7H9ClN2S — CID 141094880

IUPAC5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;hydrochloride
SMILESC#CCNc1ncc(C)s1.Cl
InChIInChI=1S/C7H8N2S.ClH/c1-3-4-8-7-9-5-6(2)10-7;/h1,5H,4H2,2H3,(H,8,9);1H
InChIKeyKTXCIJZFYVEYQT-UHFFFAOYSA-N
MW188.68 g/mol
LogP1.92
Rot. Bonds2

About 5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;hydrochloride

5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 141094880) has the molecular formula C7H9ClN2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;hydrochloride
PubChem CID141094880
Molecular FormulaC7H9ClN2S
Molecular Weight188.68 g/mol
Exact Mass188.02
IUPAC Name5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;hydrochloride
SMILESC#CCNc1ncc(C)s1.Cl
InChIInChI=1S/C7H8N2S.ClH/c1-3-4-8-7-9-5-6(2)10-7;/h1,5H,4H2,2H3,(H,8,9);1H
InChIKeyKTXCIJZFYVEYQT-UHFFFAOYSA-N
XLogP1.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;hydrochloride (CID 141094880) is 5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;hydrochloride is C#CCNc1ncc(C)s1.Cl.
What is the InChIKey of 5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is KTXCIJZFYVEYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S.ClH/c1-3-4-8-7-9-5-6(2)10-7;/h1,5H,4H2,2H3,(H,8,9);1H.
What are the key properties of 5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;hydrochloride?
5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 188.68 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 141094880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).