2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide

C15H18N2OS2 — CID 82423853

IUPAC2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide
SMILESCC(C)c1ccccc1OCCc1ncc(C(N)=S)s1
InChIInChI=1S/C15H18N2OS2/c1-10(2)11-5-3-4-6-12(11)18-8-7-14-17-9-13(20-14)15(16)19/h3-6,9-10H,7-8H2,1-2H3,(H2,16,19)
InChIKeyQINFVLXXFHWMGY-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.52
Rot. Bonds6

About 2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide

2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide (PubChem CID 82423853) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide
PubChem CID82423853
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide
SMILESCC(C)c1ccccc1OCCc1ncc(C(N)=S)s1
InChIInChI=1S/C15H18N2OS2/c1-10(2)11-5-3-4-6-12(11)18-8-7-14-17-9-13(20-14)15(16)19/h3-6,9-10H,7-8H2,1-2H3,(H2,16,19)
InChIKeyQINFVLXXFHWMGY-UHFFFAOYSA-N
XLogP3.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide
CID 82423825
2-(2-methoxyethyl)-1,3-thiazole-5-carbothioamide
CID 82422332
2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191076
2-[4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 94760741
4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
CID 82426776
2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine
CID 82353535
2-[2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethoxy]aniline
CID 96666515
3-chloro-5-methoxy-4-[2-(2-propan-2-ylphenoxy)ethoxy]benzenecarbothioamide
CID 20985944
2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82424014
3-(2-propan-2-ylphenoxy)propanimidamide
CID 24706101
N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide
CID 24689545
1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole
CID 103016128

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide?
The IUPAC name of 2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide (CID 82423853) is 2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide is CC(C)c1ccccc1OCCc1ncc(C(N)=S)s1.
What is the InChIKey of 2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide?
The InChIKey is QINFVLXXFHWMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-10(2)11-5-3-4-6-12(11)18-8-7-14-17-9-13(20-14)15(16)19/h3-6,9-10H,7-8H2,1-2H3,(H2,16,19).
What are the key properties of 2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide?
2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide has a molecular weight of 306.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 82423853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).