2-propyl-5H-1,2-thiazole;hydrochloride

C6H12ClNS — CID 19991381

IUPAC2-propyl-5H-1,2-thiazole;hydrochloride
SMILESCCCN1C=CCS1.Cl
InChIInChI=1S/C6H11NS.ClH/c1-2-4-7-5-3-6-8-7;/h3,5H,2,4,6H2,1H3;1H
InChIKeyDUAFZDVOUVRVEH-UHFFFAOYSA-N
MW165.69 g/mol
LogP2.30
Rot. Bonds2

About 2-propyl-5H-1,2-thiazole;hydrochloride

2-propyl-5H-1,2-thiazole;hydrochloride (PubChem CID 19991381) has the molecular formula C6H12ClNS and a molecular weight of 165.69 g/mol. Its IUPAC name is 2-propyl-5H-1,2-thiazole;hydrochloride.

Molecular Properties

Compound Name2-propyl-5H-1,2-thiazole;hydrochloride
PubChem CID19991381
Molecular FormulaC6H12ClNS
Molecular Weight165.69 g/mol
Exact Mass165.04
IUPAC Name2-propyl-5H-1,2-thiazole;hydrochloride
SMILESCCCN1C=CCS1.Cl
InChIInChI=1S/C6H11NS.ClH/c1-2-4-7-5-3-6-8-7;/h3,5H,2,4,6H2,1H3;1H
InChIKeyDUAFZDVOUVRVEH-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.69
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5H-1,2-thiazole;hydrochloride?
The IUPAC name of 2-propyl-5H-1,2-thiazole;hydrochloride (CID 19991381) is 2-propyl-5H-1,2-thiazole;hydrochloride.
What is the SMILES notation for 2-propyl-5H-1,2-thiazole;hydrochloride?
The canonical SMILES for 2-propyl-5H-1,2-thiazole;hydrochloride is CCCN1C=CCS1.Cl.
What is the InChIKey of 2-propyl-5H-1,2-thiazole;hydrochloride?
The InChIKey is DUAFZDVOUVRVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS.ClH/c1-2-4-7-5-3-6-8-7;/h3,5H,2,4,6H2,1H3;1H.
What are the key properties of 2-propyl-5H-1,2-thiazole;hydrochloride?
2-propyl-5H-1,2-thiazole;hydrochloride has a molecular weight of 165.69 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5H-1,2-thiazole;hydrochloride is sourced from PubChem (CID 19991381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).