3-butyl-4-methyl-2H-1,3-thiazole;hydrochloride

C8H16ClNS — CID 141259289

IUPAC3-butyl-4-methyl-2H-1,3-thiazole;hydrochloride
SMILESCCCCN1CSC=C1C.Cl
InChIInChI=1S/C8H15NS.ClH/c1-3-4-5-9-7-10-6-8(9)2;/h6H,3-5,7H2,1-2H3;1H
InChIKeyRUOJYVREFSTNKC-UHFFFAOYSA-N
MW193.74 g/mol
LogP3.08
Rot. Bonds3

About 3-butyl-4-methyl-2H-1,3-thiazole;hydrochloride

3-butyl-4-methyl-2H-1,3-thiazole;hydrochloride (PubChem CID 141259289) has the molecular formula C8H16ClNS and a molecular weight of 193.74 g/mol. Its IUPAC name is 3-butyl-4-methyl-2H-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name3-butyl-4-methyl-2H-1,3-thiazole;hydrochloride
PubChem CID141259289
Molecular FormulaC8H16ClNS
Molecular Weight193.74 g/mol
Exact Mass193.07
IUPAC Name3-butyl-4-methyl-2H-1,3-thiazole;hydrochloride
SMILESCCCCN1CSC=C1C.Cl
InChIInChI=1S/C8H15NS.ClH/c1-3-4-5-9-7-10-6-8(9)2;/h6H,3-5,7H2,1-2H3;1H
InChIKeyRUOJYVREFSTNKC-UHFFFAOYSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.74
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-methyl-2H-1,3-thiazole;hydrochloride?
The IUPAC name of 3-butyl-4-methyl-2H-1,3-thiazole;hydrochloride (CID 141259289) is 3-butyl-4-methyl-2H-1,3-thiazole;hydrochloride.
What is the SMILES notation for 3-butyl-4-methyl-2H-1,3-thiazole;hydrochloride?
The canonical SMILES for 3-butyl-4-methyl-2H-1,3-thiazole;hydrochloride is CCCCN1CSC=C1C.Cl.
What is the InChIKey of 3-butyl-4-methyl-2H-1,3-thiazole;hydrochloride?
The InChIKey is RUOJYVREFSTNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS.ClH/c1-3-4-5-9-7-10-6-8(9)2;/h6H,3-5,7H2,1-2H3;1H.
What are the key properties of 3-butyl-4-methyl-2H-1,3-thiazole;hydrochloride?
3-butyl-4-methyl-2H-1,3-thiazole;hydrochloride has a molecular weight of 193.74 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-methyl-2H-1,3-thiazole;hydrochloride is sourced from PubChem (CID 141259289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).