2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-thiazole

C10H11NS2 — CID 20781140

IUPAC2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-thiazole
SMILESCc1ccc(SC2=NCCS2)cc1
InChIInChI=1S/C10H11NS2/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-10/h2-5H,6-7H2,1H3
InChIKeyZMTMNQOAMIVVQG-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.19
Rot. Bonds1

About 2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-thiazole

2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-thiazole (PubChem CID 20781140) has the molecular formula C10H11NS2 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-thiazole
PubChem CID20781140
Molecular FormulaC10H11NS2
Molecular Weight209.34 g/mol
Exact Mass209.03
IUPAC Name2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-thiazole
SMILESCc1ccc(SC2=NCCS2)cc1
InChIInChI=1S/C10H11NS2/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-10/h2-5H,6-7H2,1H3
InChIKeyZMTMNQOAMIVVQG-UHFFFAOYSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 275677
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2-[[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole
CID 46837865
2-(Diethylamino)-4-phenyl-1,3-dithiol-1-ium
CID 911691
(4-methylsulfanylphenyl)methyl N,N-diethylcarbamodithioate
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2-[(4-Methylphenyl)thio]acetonitrile
CID 2799771
Benzene, 1-methyl-4-[[(methylthio)methyl]thio]-
CID 4590298
2-[(4-Methylphenyl)thio]ethanamine
CID 420617
N,N-dimethyl-3-(4-methylphenyl)sulfanylprop-2-yn-1-amine
CID 134838226
1-[(Isocyanomethyl)sulfanyl]-4-methylbenzene
CID 20451295
2-[(3-Fluorophenyl)methylthio]-1,3-thiazoline
CID 19727695

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-thiazole (CID 20781140) is 2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-thiazole is Cc1ccc(SC2=NCCS2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-thiazole?
The InChIKey is ZMTMNQOAMIVVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS2/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-10/h2-5H,6-7H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-thiazole?
2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-thiazole has a molecular weight of 209.34 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 20781140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).