2-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1,3-thiazole

C19H16N2S — CID 174374982

IUPAC2-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1,3-thiazole
SMILESc1ccc(-c2csc(CCc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C19H16N2S/c1-2-6-14(7-3-1)18-13-22-19(21-18)11-10-15-12-20-17-9-5-4-8-16(15)17/h1-9,12-13,20H,10-11H2
InChIKeyPJBXGCNXNSXIJP-UHFFFAOYSA-N
MW304.42 g/mol
LogP5.08
Rot. Bonds4

About 2-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1,3-thiazole

2-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1,3-thiazole (PubChem CID 174374982) has the molecular formula C19H16N2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1,3-thiazole
PubChem CID174374982
Molecular FormulaC19H16N2S
Molecular Weight304.42 g/mol
Exact Mass304.10
IUPAC Name2-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1,3-thiazole
SMILESc1ccc(-c2csc(CCc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C19H16N2S/c1-2-6-14(7-3-1)18-13-22-19(21-18)11-10-15-12-20-17-9-5-4-8-16(15)17/h1-9,12-13,20H,10-11H2
InChIKeyPJBXGCNXNSXIJP-UHFFFAOYSA-N
XLogP5.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(1H-indol-3-ylmethyl)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 22332875
5-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53032056
2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole
CID 963414
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 16551690
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
2-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120616534
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323
2-(1H-indol-3-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8533766
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111688990
triphenyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]phosphanium
CID 23143294
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1,3-thiazole (CID 174374982) is 2-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1,3-thiazole is c1ccc(-c2csc(CCc3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1,3-thiazole?
The InChIKey is PJBXGCNXNSXIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2S/c1-2-6-14(7-3-1)18-13-22-19(21-18)11-10-15-12-20-17-9-5-4-8-16(15)17/h1-9,12-13,20H,10-11H2.
What are the key properties of 2-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1,3-thiazole?
2-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1,3-thiazole has a molecular weight of 304.42 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 174374982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).