N-(4-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine

C18H16N6S2 — CID 2125861

IUPACN-(4-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cs2)cc1
InChIInChI=1S/C18H16N6S2/c1-13-7-9-14(10-8-13)19-17-20-15(11-25-17)12-26-18-21-22-23-24(18)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,19,20)
InChIKeyWUOHIXBVXQBECS-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.46
Rot. Bonds6

About N-(4-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine

N-(4-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 2125861) has the molecular formula C18H16N6S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID2125861
Molecular FormulaC18H16N6S2
Molecular Weight380.50 g/mol
Exact Mass380.09
IUPAC NameN-(4-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cs2)cc1
InChIInChI=1S/C18H16N6S2/c1-13-7-9-14(10-8-13)19-17-20-15(11-25-17)12-26-18-21-22-23-24(18)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,19,20)
InChIKeyWUOHIXBVXQBECS-UHFFFAOYSA-N
XLogP4.46
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Methylthiazoletetrazolium
CID 64966
5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-N-(4-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 9905053
5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-N-(2-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 16757244
4-methyl-N,5-diphenyl-1,3-thiazol-2-amine
CID 2336973
N-(4'-Methyl-2-(p-tolylamino)-[4,5'-bithiazol]-2'-yl)acetamide
CID 2898142
4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2115901
(4-Methyl-thiazol-2-yl)-p-tolyl-amine
CID 786458
1-(3-methylphenyl)-5-{[(2-phenyl-1,3-thiazol-4-yl)methyl]sulfanyl}-1H-1,2,3,4-tetrazole
CID 2088982
4-[2-(4-Benzyl-phenylamino)-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 18537046
4-[2-(4-Cyclohexyl-phenylamino)-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 18537208
5-Methylsulfanyl-4-[2-(4-phenylazo-phenylamino)-thiazol-4-yl]-thiophene-2-carboxamidine
CID 18537399
N-(4-ethylphenyl)-4-methyl-1,3-thiazol-2-amine
CID 89033252

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine (CID 2125861) is N-(4-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cs2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is WUOHIXBVXQBECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6S2/c1-13-7-9-14(10-8-13)19-17-20-15(11-25-17)12-26-18-21-22-23-24(18)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,19,20).
What are the key properties of N-(4-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
N-(4-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 380.50 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2125861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).