[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol

C15H19NOS2 — CID 82432604

IUPAC[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol
SMILESCCCc1nc(-c2ccccc2OCC)sc1CS
InChIInChI=1S/C15H19NOS2/c1-3-7-12-14(10-18)19-15(16-12)11-8-5-6-9-13(11)17-4-2/h5-6,8-9,18H,3-4,7,10H2,1-2H3
InChIKeySXCKFJWFKIJLTK-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.59
Rot. Bonds6

About [2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol

[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol (PubChem CID 82432604) has the molecular formula C15H19NOS2 and a molecular weight of 293.46 g/mol. Its IUPAC name is [2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol.

Molecular Properties

Compound Name[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol
PubChem CID82432604
Molecular FormulaC15H19NOS2
Molecular Weight293.46 g/mol
Exact Mass293.09
IUPAC Name[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol
SMILESCCCc1nc(-c2ccccc2OCC)sc1CS
InChIInChI=1S/C15H19NOS2/c1-3-7-12-14(10-18)19-15(16-12)11-8-5-6-9-13(11)17-4-2/h5-6,8-9,18H,3-4,7,10H2,1-2H3
InChIKeySXCKFJWFKIJLTK-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
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-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432605
2-(2-ethoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432610
[2-(2-ethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanol
CID 82429992
2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441153
[4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82437246
1-[4-tert-butyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82439166
2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432590
1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82432707
[2-(2-phenylethyl)-4-propyl-1,3-thiazol-5-yl]methanethiol
CID 82433468
N-[[2-(2-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364657
(E)-3-[2-(2-ethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82430008
[2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol
CID 82430204

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol?
The IUPAC name of [2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol (CID 82432604) is [2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol.
What is the SMILES notation for [2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol?
The canonical SMILES for [2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol is CCCc1nc(-c2ccccc2OCC)sc1CS.
What is the InChIKey of [2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol?
The InChIKey is SXCKFJWFKIJLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS2/c1-3-7-12-14(10-18)19-15(16-12)11-8-5-6-9-13(11)17-4-2/h5-6,8-9,18H,3-4,7,10H2,1-2H3.
What are the key properties of [2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol?
[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol has a molecular weight of 293.46 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol is sourced from PubChem (CID 82432604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).