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

C14H14N2S3 — CID 19727730

IUPAC4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(CSC3=NCCS3)cs2)cc1
InChIInChI=1S/C14H14N2S3/c1-10-2-4-11(5-3-10)13-16-12(8-18-13)9-19-14-15-6-7-17-14/h2-5,8H,6-7,9H2,1H3
InChIKeyIXUQYYNFARMKNT-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.45
Rot. Bonds3

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

4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-thiazole (PubChem CID 19727730) has the molecular formula C14H14N2S3 and a molecular weight of 306.48 g/mol. Its IUPAC name is 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-thiazole
PubChem CID19727730
Molecular FormulaC14H14N2S3
Molecular Weight306.48 g/mol
Exact Mass306.03
IUPAC Name4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(CSC3=NCCS3)cs2)cc1
InChIInChI=1S/C14H14N2S3/c1-10-2-4-11(5-3-10)13-16-12(8-18-13)9-19-14-15-6-7-17-14/h2-5,8H,6-7,9H2,1H3
InChIKeyIXUQYYNFARMKNT-UHFFFAOYSA-N
XLogP4.45
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]aniline
CID 43248905
(2S,3S)-1,4-bis[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]butane-2,3-diol
CID 98082805
2-(4-methylphenyl)-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 7818447
2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888227
4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole
CID 144794797
N-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide
CID 4789560
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7816798
4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole
CID 19726756
4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole
CID 18228999
2-[(4-methoxyphenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
CID 4251278

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-thiazole (CID 19727730) is 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2nc(CSC3=NCCS3)cs2)cc1.
What is the InChIKey of 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-thiazole?
The InChIKey is IXUQYYNFARMKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S3/c1-10-2-4-11(5-3-10)13-16-12(8-18-13)9-19-14-15-6-7-17-14/h2-5,8H,6-7,9H2,1H3.
What are the key properties of 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-thiazole?
4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-thiazole has a molecular weight of 306.48 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-2-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 19727730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).