2-[(2,5-dimethylphenyl)methyl]-4-(4-methylsulfanylphenyl)-1,3-thiazole

C19H19NS2 — CID 144541797

IUPAC2-[(2,5-dimethylphenyl)methyl]-4-(4-methylsulfanylphenyl)-1,3-thiazole
SMILESCSc1ccc(-c2csc(Cc3cc(C)ccc3C)n2)cc1
InChIInChI=1S/C19H19NS2/c1-13-4-5-14(2)16(10-13)11-19-20-18(12-22-19)15-6-8-17(21-3)9-7-15/h4-10,12H,11H2,1-3H3
InChIKeyNDIVCIAMWAJQAZ-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.74
Rot. Bonds4

About 2-[(2,5-dimethylphenyl)methyl]-4-(4-methylsulfanylphenyl)-1,3-thiazole

2-[(2,5-dimethylphenyl)methyl]-4-(4-methylsulfanylphenyl)-1,3-thiazole (PubChem CID 144541797) has the molecular formula C19H19NS2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-4-(4-methylsulfanylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-4-(4-methylsulfanylphenyl)-1,3-thiazole
PubChem CID144541797
Molecular FormulaC19H19NS2
Molecular Weight325.50 g/mol
Exact Mass325.10
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-4-(4-methylsulfanylphenyl)-1,3-thiazole
SMILESCSc1ccc(-c2csc(Cc3cc(C)ccc3C)n2)cc1
InChIInChI=1S/C19H19NS2/c1-13-4-5-14(2)16(10-13)11-19-20-18(12-22-19)15-6-8-17(21-3)9-7-15/h4-10,12H,11H2,1-3H3
InChIKeyNDIVCIAMWAJQAZ-UHFFFAOYSA-N
XLogP5.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 116970137
N-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 32951588
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 116967862
N,N-dimethyl-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 47302358
3-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-N-ethyl-N-methylpropan-1-amine
CID 71290617
N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 4660258
N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116968163
N-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 145045272
2-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]anilino]-4,5-dihydro-1H-pyrimidin-6-one
CID 145045164
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694
2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propan-2-ol
CID 116966681

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-4-(4-methylsulfanylphenyl)-1,3-thiazole?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-4-(4-methylsulfanylphenyl)-1,3-thiazole (CID 144541797) is 2-[(2,5-dimethylphenyl)methyl]-4-(4-methylsulfanylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-4-(4-methylsulfanylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-4-(4-methylsulfanylphenyl)-1,3-thiazole is CSc1ccc(-c2csc(Cc3cc(C)ccc3C)n2)cc1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-4-(4-methylsulfanylphenyl)-1,3-thiazole?
The InChIKey is NDIVCIAMWAJQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS2/c1-13-4-5-14(2)16(10-13)11-19-20-18(12-22-19)15-6-8-17(21-3)9-7-15/h4-10,12H,11H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-4-(4-methylsulfanylphenyl)-1,3-thiazole?
2-[(2,5-dimethylphenyl)methyl]-4-(4-methylsulfanylphenyl)-1,3-thiazole has a molecular weight of 325.50 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-4-(4-methylsulfanylphenyl)-1,3-thiazole is sourced from PubChem (CID 144541797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).