2-propyl-3H-1,2-thiazole 1-oxide;hydrochloride

C6H12ClNOS — CID 67924960

IUPAC2-propyl-3H-1,2-thiazole 1-oxide;hydrochloride
SMILESCCCN1CC=CS1=O.Cl
InChIInChI=1S/C6H11NOS.ClH/c1-2-4-7-5-3-6-9(7)8;/h3,6H,2,4-5H2,1H3;1H
InChIKeyXBNMDSSYSMARBF-UHFFFAOYSA-N
MW181.69 g/mol
LogP1.31
Rot. Bonds2

About 2-propyl-3H-1,2-thiazole 1-oxide;hydrochloride

2-propyl-3H-1,2-thiazole 1-oxide;hydrochloride (PubChem CID 67924960) has the molecular formula C6H12ClNOS and a molecular weight of 181.69 g/mol. Its IUPAC name is 2-propyl-3H-1,2-thiazole 1-oxide;hydrochloride.

Molecular Properties

Compound Name2-propyl-3H-1,2-thiazole 1-oxide;hydrochloride
PubChem CID67924960
Molecular FormulaC6H12ClNOS
Molecular Weight181.69 g/mol
Exact Mass181.03
IUPAC Name2-propyl-3H-1,2-thiazole 1-oxide;hydrochloride
SMILESCCCN1CC=CS1=O.Cl
InChIInChI=1S/C6H11NOS.ClH/c1-2-4-7-5-3-6-9(7)8;/h3,6H,2,4-5H2,1H3;1H
InChIKeyXBNMDSSYSMARBF-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.69
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 66678719
CID 66678719
CID 70074222
CID 70074222
CID 19372401
CID 19372401
CID 58769933
CID 58769933
CID 67863022
CID 67863022
CID 67882784
CID 67882784
CID 67924961
CID 67924961
CID 68440885
CID 68440885
CID 70013743
CID 70013743
CID 87785098
CID 87785098
CID 118394366
CID 118394366
CID 139794898
CID 139794898

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3H-1,2-thiazole 1-oxide;hydrochloride?
The IUPAC name of 2-propyl-3H-1,2-thiazole 1-oxide;hydrochloride (CID 67924960) is 2-propyl-3H-1,2-thiazole 1-oxide;hydrochloride.
What is the SMILES notation for 2-propyl-3H-1,2-thiazole 1-oxide;hydrochloride?
The canonical SMILES for 2-propyl-3H-1,2-thiazole 1-oxide;hydrochloride is CCCN1CC=CS1=O.Cl.
What is the InChIKey of 2-propyl-3H-1,2-thiazole 1-oxide;hydrochloride?
The InChIKey is XBNMDSSYSMARBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS.ClH/c1-2-4-7-5-3-6-9(7)8;/h3,6H,2,4-5H2,1H3;1H.
What are the key properties of 2-propyl-3H-1,2-thiazole 1-oxide;hydrochloride?
2-propyl-3H-1,2-thiazole 1-oxide;hydrochloride has a molecular weight of 181.69 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3H-1,2-thiazole 1-oxide;hydrochloride is sourced from PubChem (CID 67924960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).