5-(3-chloro-4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine

C20H21ClN2O4S — CID 53388045

IUPAC5-(3-chloro-4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(-c2sc(N)nc2-c2cc(OC)c(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C20H21ClN2O4S/c1-5-27-14-7-6-11(8-13(14)21)19-17(23-20(22)28-19)12-9-15(24-2)18(26-4)16(10-12)25-3/h6-10H,5H2,1-4H3,(H2,22,23)
InChIKeyZINYZXJXYHAMRW-UHFFFAOYSA-N
MW420.92 g/mol
LogP5.14
Rot. Bonds7

About 5-(3-chloro-4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine

5-(3-chloro-4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 53388045) has the molecular formula C20H21ClN2O4S and a molecular weight of 420.92 g/mol. Its IUPAC name is 5-(3-chloro-4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-chloro-4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID53388045
Molecular FormulaC20H21ClN2O4S
Molecular Weight420.92 g/mol
Exact Mass420.09
IUPAC Name5-(3-chloro-4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(-c2sc(N)nc2-c2cc(OC)c(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C20H21ClN2O4S/c1-5-27-14-7-6-11(8-13(14)21)19-17(23-20(22)28-19)12-9-15(24-2)18(26-4)16(10-12)25-3/h6-10H,5H2,1-4H3,(H2,22,23)
InChIKeyZINYZXJXYHAMRW-UHFFFAOYSA-N
XLogP5.14
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.92
LogP ≤ 55.14
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
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-(3-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387893
5-(3-Fluoro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53387894
5-(4-Methoxy-3-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 53388043

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-chloro-4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (CID 53388045) is 5-(3-chloro-4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-chloro-4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-chloro-4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is CCOc1ccc(-c2sc(N)nc2-c2cc(OC)c(OC)c(OC)c2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is ZINYZXJXYHAMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4S/c1-5-27-14-7-6-11(8-13(14)21)19-17(23-20(22)28-19)12-9-15(24-2)18(26-4)16(10-12)25-3/h6-10H,5H2,1-4H3,(H2,22,23).
What are the key properties of 5-(3-chloro-4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
5-(3-chloro-4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 420.92 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 53388045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).