5-(1-benzothiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine

C20H18N2O3S2 — CID 53387733

IUPAC5-(1-benzothiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cc(-c2nc(N)sc2-c2cc3ccccc3s2)cc(OC)c1OC
InChIInChI=1S/C20H18N2O3S2/c1-23-13-8-12(9-14(24-2)18(13)25-3)17-19(27-20(21)22-17)16-10-11-6-4-5-7-15(11)26-16/h4-10H,1-3H3,(H2,21,22)
InChIKeyJLGFPVLBVFNIKL-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.30
Rot. Bonds5

About 5-(1-benzothiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine

5-(1-benzothiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 53387733) has the molecular formula C20H18N2O3S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-benzothiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID53387733
Molecular FormulaC20H18N2O3S2
Molecular Weight398.51 g/mol
Exact Mass398.08
IUPAC Name5-(1-benzothiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cc(-c2nc(N)sc2-c2cc3ccccc3s2)cc(OC)c1OC
InChIInChI=1S/C20H18N2O3S2/c1-23-13-8-12(9-14(24-2)18(13)25-3)17-19(27-20(21)22-17)16-10-11-6-4-5-7-15(11)26-16/h4-10H,1-3H3,(H2,21,22)
InChIKeyJLGFPVLBVFNIKL-UHFFFAOYSA-N
XLogP5.30
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-Ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53380487
5-(4-Methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387889
5-(4-Ethylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387890
5-[4-(Trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387891
5-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387892
5-(4-ethoxyphenyl)-N-methyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 71461486
Benzothiazol-2-yl-(3,4,5-trimethoxy-benzyl)-amine
CID 6489811
5-(3-Amino-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 10475319
4-(4-Ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 118737480
4-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 122183262
5-Naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387732
5-(3-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387893

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-benzothiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (CID 53387733) is 5-(1-benzothiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-benzothiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-benzothiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is COc1cc(-c2nc(N)sc2-c2cc3ccccc3s2)cc(OC)c1OC.
What is the InChIKey of 5-(1-benzothiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is JLGFPVLBVFNIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S2/c1-23-13-8-12(9-14(24-2)18(13)25-3)17-19(27-20(21)22-17)16-10-11-6-4-5-7-15(11)26-16/h4-10H,1-3H3,(H2,21,22).
What are the key properties of 5-(1-benzothiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
5-(1-benzothiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 398.51 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 53387733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).