4-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-amine

C21H21N3O2S — CID 11317125

IUPAC4-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(OC)c(-c2csc(NCCc3c[nH]c4ccccc34)n2)c1
InChIInChI=1S/C21H21N3O2S/c1-25-15-7-8-20(26-2)17(11-15)19-13-27-21(24-19)22-10-9-14-12-23-18-6-4-3-5-16(14)18/h3-8,11-13,23H,9-10H2,1-2H3,(H,22,24)
InChIKeyBJXISZAJGXXAII-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.96
Rot. Bonds7

About 4-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-amine

4-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 11317125) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID11317125
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name4-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(OC)c(-c2csc(NCCc3c[nH]c4ccccc34)n2)c1
InChIInChI=1S/C21H21N3O2S/c1-25-15-7-8-20(26-2)17(11-15)19-13-27-21(24-19)22-10-9-14-12-23-18-6-4-3-5-16(14)18/h3-8,11-13,23H,9-10H2,1-2H3,(H,22,24)
InChIKeyBJXISZAJGXXAII-UHFFFAOYSA-N
XLogP4.96
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-dimethoxyphenyl)-N-ethyl-1,3-thiazol-2-amine
CID 8962407
N-[(2,5-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propan-1-amine
CID 119125508
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2531414
N-hexyl-4-(1H-indol-3-yl)-1,3-thiazol-2-amine
CID 45034189
N-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-methylquinolin-4-amine
CID 110432899
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
4-(2,5-dimethoxyphenyl)-N-(2-phenylphenyl)-1,3-thiazol-2-amine
CID 101224288
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918561
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 8839526
4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962184
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-amine (CID 11317125) is 4-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-amine is COc1ccc(OC)c(-c2csc(NCCc3c[nH]c4ccccc34)n2)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is BJXISZAJGXXAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-25-15-7-8-20(26-2)17(11-15)19-13-27-21(24-19)22-10-9-14-12-23-18-6-4-3-5-16(14)18/h3-8,11-13,23H,9-10H2,1-2H3,(H,22,24).
What are the key properties of 4-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-amine?
4-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 379.49 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 11317125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).