4-hydroxy-3-propyl-1,3-thiazol-2-one

C6H9NO2S — CID 123136344

IUPAC4-hydroxy-3-propyl-1,3-thiazol-2-one
SMILESCCCn1c(O)csc1=O
InChIInChI=1S/C6H9NO2S/c1-2-3-7-5(8)4-10-6(7)9/h4,8H,2-3H2,1H3
InChIKeyLMJADCIRDXECPN-UHFFFAOYSA-N
MW159.21 g/mol
LogP1.03
Rot. Bonds2

About 4-hydroxy-3-propyl-1,3-thiazol-2-one

4-hydroxy-3-propyl-1,3-thiazol-2-one (PubChem CID 123136344) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 4-hydroxy-3-propyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-propyl-1,3-thiazol-2-one
PubChem CID123136344
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name4-hydroxy-3-propyl-1,3-thiazol-2-one
SMILESCCCn1c(O)csc1=O
InChIInChI=1S/C6H9NO2S/c1-2-3-7-5(8)4-10-6(7)9/h4,8H,2-3H2,1H3
InChIKeyLMJADCIRDXECPN-UHFFFAOYSA-N
XLogP1.03
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-3-prop-2-ynyl-1,3-thiazol-2-one
CID 53699195
4-Hydroxy-3-methyl-1,3-thiazol-2-one
CID 53709471
3-(3-Bromobutyl)-4-hydroxy-1,3-thiazol-2-one
CID 54032066
3-(3-Bromopropyl)-4-hydroxy-1,3-thiazol-2-one
CID 54253012
3-Ethyl-4-hydroxy-1,3-thiazol-2-one
CID 54276559
4-Hydroxy-3-(3-methoxypropyl)-1,3-thiazol-2-one
CID 54426525
4-Hydroxy-3-(2-oxopropyl)-1,3-thiazol-2-one
CID 54434240
3-Butyl-4-hydroxy-1,3-thiazol-2-one
CID 56631257
4-Hydroxy-3-(3-hydroxypropyl)-1,3-thiazol-2-one
CID 90890943
4-Hydroxy-3-(3-oxobutyl)-1,3-thiazol-2-one
CID 91449679
3-[2-(Dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one
CID 123700873
4-Hydroxy-3-(3-methylbutyl)-1,3-thiazol-2-one
CID 123747379

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-propyl-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-propyl-1,3-thiazol-2-one (CID 123136344) is 4-hydroxy-3-propyl-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-propyl-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-propyl-1,3-thiazol-2-one is CCCn1c(O)csc1=O.
What is the InChIKey of 4-hydroxy-3-propyl-1,3-thiazol-2-one?
The InChIKey is LMJADCIRDXECPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-2-3-7-5(8)4-10-6(7)9/h4,8H,2-3H2,1H3.
What are the key properties of 4-hydroxy-3-propyl-1,3-thiazol-2-one?
4-hydroxy-3-propyl-1,3-thiazol-2-one has a molecular weight of 159.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-propyl-1,3-thiazol-2-one is sourced from PubChem (CID 123136344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).