4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole

C18H15N5S2 — CID 2088982

IUPAC4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
SMILESCc1cccc(-n2nnnc2SCc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H15N5S2/c1-13-6-5-9-16(10-13)23-18(20-21-22-23)25-12-15-11-24-17(19-15)14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyZZBLCHKCRRZHNF-UHFFFAOYSA-N
MW365.49 g/mol
LogP4.39
Rot. Bonds5

About 4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole

4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole (PubChem CID 2088982) has the molecular formula C18H15N5S2 and a molecular weight of 365.49 g/mol. Its IUPAC name is 4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
PubChem CID2088982
Molecular FormulaC18H15N5S2
Molecular Weight365.49 g/mol
Exact Mass365.08
IUPAC Name4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
SMILESCc1cccc(-n2nnnc2SCc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H15N5S2/c1-13-6-5-9-16(10-13)23-18(20-21-22-23)25-12-15-11-24-17(19-15)14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyZZBLCHKCRRZHNF-UHFFFAOYSA-N
XLogP4.39
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide)
CID 64965
Methylthiazoletetrazolium
CID 64966
(2',4'-Dimethyl-[4,5']bithiazolyl-2-yl)-m-tolyl-amine
CID 3157522
4'-methyl-N~2~-(3-methylphenyl)-4,5'-bi-1,3-thiazole-2,2'-diamine dihydrobromide
CID 3157524
Thiazole, 2-(3,5-dimethyl-1-pyrazolyl)-4-phenyl-
CID 388615
2-[1-(3,5-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-[4-(4-fluoro-phenyl)-thiazol-2-yl]-acetamide
CID 1449684
N-(4-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 2125861
2-(1-(p-tolyl)-1H-tetrazol-5-yl)benzo[d]thiazole
CID 2140190
N-(3-methylphenyl)-2-({5-phenyl-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl}sulfanyl)acetamide
CID 2241359
N-(2-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 2471690
2-[[[5-Methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole
CID 2543587
2-Phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole;hydrobromide
CID 6603274

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole (CID 2088982) is 4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole is Cc1cccc(-n2nnnc2SCc2csc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?
The InChIKey is ZZBLCHKCRRZHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5S2/c1-13-6-5-9-16(10-13)23-18(20-21-22-23)25-12-15-11-24-17(19-15)14-7-3-2-4-8-14/h2-11H,12H2,1H3.
What are the key properties of 4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole?
4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole has a molecular weight of 365.49 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 2088982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).