3-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indol-5-ol

C19H16N4O3S — CID 87929680

IUPAC3-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indol-5-ol
SMILESO=[N+]([O-])c1ccc(-c2csc(NCCc3c[nH]c4ccc(O)cc34)n2)cc1
InChIInChI=1S/C19H16N4O3S/c24-15-5-6-17-16(9-15)13(10-21-17)7-8-20-19-22-18(11-27-19)12-1-3-14(4-2-12)23(25)26/h1-6,9-11,21,24H,7-8H2,(H,20,22)
InChIKeyWETKFMDVXAJOFP-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.56
Rot. Bonds6

About 3-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indol-5-ol

3-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indol-5-ol (PubChem CID 87929680) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 3-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indol-5-ol
PubChem CID87929680
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name3-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indol-5-ol
SMILESO=[N+]([O-])c1ccc(-c2csc(NCCc3c[nH]c4ccc(O)cc34)n2)cc1
InChIInChI=1S/C19H16N4O3S/c24-15-5-6-17-16(9-15)13(10-21-17)7-8-20-19-22-18(11-27-19)12-1-3-14(4-2-12)23(25)26/h1-6,9-11,21,24H,7-8H2,(H,20,22)
InChIKeyWETKFMDVXAJOFP-UHFFFAOYSA-N
XLogP4.56
TPSA104.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 8963286
3-propyl-1H-indol-5-ol
CID 15366338
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-nitrobenzamide
CID 2038867
N-[2-(2,4-difluorophenyl)ethyl]-4-(2-fluoro-4-nitrophenyl)-1,3-thiazol-2-amine
CID 154801498
1-N,3-N-bis[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3602567
4-[2-[[(4-nitrophenyl)methylamino]methyl]-1,3-thiazol-4-yl]phenol
CID 174450675
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-[2-(4-nitroanilino)ethyl]guanidine
CID 111972620
N'-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carbohydrazide;hydrobromide
CID 71311862
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 16551690
2,2,2-trifluoro-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 5130084
2-ethyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 4166054
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide
CID 5228855

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indol-5-ol?
The IUPAC name of 3-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indol-5-ol (CID 87929680) is 3-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indol-5-ol.
What is the SMILES notation for 3-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indol-5-ol?
The canonical SMILES for 3-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indol-5-ol is O=[N+]([O-])c1ccc(-c2csc(NCCc3c[nH]c4ccc(O)cc34)n2)cc1.
What is the InChIKey of 3-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indol-5-ol?
The InChIKey is WETKFMDVXAJOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c24-15-5-6-17-16(9-15)13(10-21-17)7-8-20-19-22-18(11-27-19)12-1-3-14(4-2-12)23(25)26/h1-6,9-11,21,24H,7-8H2,(H,20,22).
What are the key properties of 3-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indol-5-ol?
3-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indol-5-ol has a molecular weight of 380.43 g/mol, XLogP of 4.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indol-5-ol is sourced from PubChem (CID 87929680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).