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

C20H18N4O2S2 — CID 7651066

IUPACN-(4-methoxyphenyl)-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(CSc3nnc(-c4cccc(C)c4)o3)cs2)cc1
InChIInChI=1S/C20H18N4O2S2/c1-13-4-3-5-14(10-13)18-23-24-20(26-18)28-12-16-11-27-19(22-16)21-15-6-8-17(25-2)9-7-15/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyDSYWRZQDYXVSGT-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.55
Rot. Bonds7

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

N-(4-methoxyphenyl)-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 7651066) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID7651066
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC NameN-(4-methoxyphenyl)-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(CSc3nnc(-c4cccc(C)c4)o3)cs2)cc1
InChIInChI=1S/C20H18N4O2S2/c1-13-4-3-5-14(10-13)18-23-24-20(26-18)28-12-16-11-27-19(22-16)21-15-6-8-17(25-2)9-7-15/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyDSYWRZQDYXVSGT-UHFFFAOYSA-N
XLogP5.55
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 18268583
2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 38867895
2-(4-methoxyphenyl)-5-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 46435511
2-(3,4-dimethoxyphenyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 5298267
2-(3,5-dimethoxyphenyl)-5-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 39526958
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 18775053
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 9345632
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 31460895
2-(4-methoxyphenyl)-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 42476331
2-(3,5-dimethylphenyl)-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 32904752
2-(3-methylphenyl)-5-[(4-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 7417780
2-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 2579360

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-amine (CID 7651066) is N-(4-methoxyphenyl)-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-amine is COc1ccc(Nc2nc(CSc3nnc(-c4cccc(C)c4)o3)cs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is DSYWRZQDYXVSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-13-4-3-5-14(10-13)18-23-24-20(26-18)28-12-16-11-27-19(22-16)21-15-6-8-17(25-2)9-7-15/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of N-(4-methoxyphenyl)-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-amine?
N-(4-methoxyphenyl)-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 410.52 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 7651066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).