[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol

C15H19NOS2 — CID 82516432

IUPAC[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol
SMILESCC(C)c1cccc(OCCc2nc(CS)cs2)c1
InChIInChI=1S/C15H19NOS2/c1-11(2)12-4-3-5-14(8-12)17-7-6-15-16-13(9-18)10-19-15/h3-5,8,10-11,18H,6-7,9H2,1-2H3
InChIKeyJKXCIOWRWTXXAH-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.32
Rot. Bonds6

About [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol

[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol (PubChem CID 82516432) has the molecular formula C15H19NOS2 and a molecular weight of 293.46 g/mol. Its IUPAC name is [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol.

Molecular Properties

Compound Name[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol
PubChem CID82516432
Molecular FormulaC15H19NOS2
Molecular Weight293.46 g/mol
Exact Mass293.09
IUPAC Name[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol
SMILESCC(C)c1cccc(OCCc2nc(CS)cs2)c1
InChIInChI=1S/C15H19NOS2/c1-11(2)12-4-3-5-14(8-12)17-7-6-15-16-13(9-18)10-19-15/h3-5,8,10-11,18H,6-7,9H2,1-2H3
InChIKeyJKXCIOWRWTXXAH-UHFFFAOYSA-N
XLogP4.32
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104681
2-[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 82516430
[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol
CID 82516213
N-[[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193815
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503
[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82516227
ethane;2-(3-propan-2-ylphenoxy)ethanethiol
CID 144874001
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
(1S)-1-[3-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 78933888
4-methyl-2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82154153
[2-(2-naphthalen-2-yloxyethyl)-1,3-thiazol-4-yl]methanol
CID 82154533
2-[2-(3-propan-2-ylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 82154607

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol?
The IUPAC name of [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol (CID 82516432) is [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol.
What is the SMILES notation for [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol?
The canonical SMILES for [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol is CC(C)c1cccc(OCCc2nc(CS)cs2)c1.
What is the InChIKey of [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol?
The InChIKey is JKXCIOWRWTXXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS2/c1-11(2)12-4-3-5-14(8-12)17-7-6-15-16-13(9-18)10-19-15/h3-5,8,10-11,18H,6-7,9H2,1-2H3.
What are the key properties of [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol?
[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol has a molecular weight of 293.46 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol is sourced from PubChem (CID 82516432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).