(2R)-1,2-bis(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone

C19H18N2OS3 — CID 7820386

IUPAC(2R)-1,2-bis(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILESCSc1nnc(S[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)s1
InChIInChI=1S/C19H18N2OS3/c1-12-4-8-14(9-5-12)16(22)17(15-10-6-13(2)7-11-15)24-19-21-20-18(23-3)25-19/h4-11,17H,1-3H3/t17-/m1/s1
InChIKeyKYZLJFMPVBSNQW-QGZVFWFLSA-N
MW386.57 g/mol
LogP5.59
Rot. Bonds6

About (2R)-1,2-bis(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone

(2R)-1,2-bis(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone (PubChem CID 7820386) has the molecular formula C19H18N2OS3 and a molecular weight of 386.57 g/mol. Its IUPAC name is (2R)-1,2-bis(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name(2R)-1,2-bis(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
PubChem CID7820386
Molecular FormulaC19H18N2OS3
Molecular Weight386.57 g/mol
Exact Mass386.06
IUPAC Name(2R)-1,2-bis(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
SMILESCSc1nnc(S[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)s1
InChIInChI=1S/C19H18N2OS3/c1-12-4-8-14(9-5-12)16(22)17(15-10-6-13(2)7-11-15)24-19-21-20-18(23-3)25-19/h4-11,17H,1-3H3/t17-/m1/s1
InChIKeyKYZLJFMPVBSNQW-QGZVFWFLSA-N
XLogP5.59
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.57
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-1,2-bis(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone with MolForge

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Related Compounds

(2R)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,2-bis(4-methylphenyl)ethanone
CID 7485153
2-[1-(4-methylphenyl)ethylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 54320433
(2R)-1-(4-methoxyphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one
CID 7820557
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2-bis(4-methylphenyl)ethanone
CID 43040664
(2R)-2-(1-methylimidazol-2-yl)sulfanyl-1,2-bis(4-methylphenyl)ethanone
CID 40529204
(2S)-1,2-bis(4-methylphenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2406345
(2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,2-bis(4-methylphenyl)ethanone
CID 2640722
(2S)-2-[[5-[(R)-carboxy(phenyl)methyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetic acid
CID 27153276
(2S)-1,2-bis(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 7865405
N-(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2668647
(2S)-N-(ethylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetamide
CID 7898093
(2R)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7820525

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-bis(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of (2R)-1,2-bis(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone (CID 7820386) is (2R)-1,2-bis(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for (2R)-1,2-bis(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for (2R)-1,2-bis(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone is CSc1nnc(S[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)s1.
What is the InChIKey of (2R)-1,2-bis(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is KYZLJFMPVBSNQW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18N2OS3/c1-12-4-8-14(9-5-12)16(22)17(15-10-6-13(2)7-11-15)24-19-21-20-18(23-3)25-19/h4-11,17H,1-3H3/t17-/m1/s1.
What are the key properties of (2R)-1,2-bis(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone?
(2R)-1,2-bis(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 386.57 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-bis(4-methylphenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 7820386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).