5-(dipropylamino)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)diazenyl]phenol

C16H23N5OS — CID 136648509

IUPAC5-(dipropylamino)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)diazenyl]phenol
SMILESCCCN(CCC)c1ccc(/N=N/c2nnc(CC)s2)c(O)c1
InChIInChI=1S/C16H23N5OS/c1-4-9-21(10-5-2)12-7-8-13(14(22)11-12)17-19-16-20-18-15(6-3)23-16/h7-8,11,22H,4-6,9-10H2,1-3H3/b19-17+
InChIKeyVVKBFMQIYUZEAY-HTXNQAPBSA-N
MW333.46 g/mol
LogP4.85
Rot. Bonds8

About 5-(dipropylamino)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)diazenyl]phenol

5-(dipropylamino)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)diazenyl]phenol (PubChem CID 136648509) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 5-(dipropylamino)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)diazenyl]phenol.

Molecular Properties

Compound Name5-(dipropylamino)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)diazenyl]phenol
PubChem CID136648509
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name5-(dipropylamino)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)diazenyl]phenol
SMILESCCCN(CCC)c1ccc(/N=N/c2nnc(CC)s2)c(O)c1
InChIInChI=1S/C16H23N5OS/c1-4-9-21(10-5-2)12-7-8-13(14(22)11-12)17-19-16-20-18-15(6-3)23-16/h7-8,11,22H,4-6,9-10H2,1-3H3/b19-17+
InChIKeyVVKBFMQIYUZEAY-HTXNQAPBSA-N
XLogP4.85
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[4-(dipropylamino)-2-hydroxyphenyl]iminoazanium
CID 135608509
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol
CID 135829617
5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol
CID 137081566
2-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-1,3-benzothiazole-6-carboxylic acid
CID 136797804
5-[methyl(2-sulfanylethyl)amino]-2-(1,3-thiazol-2-yldiazenyl)phenol
CID 143874335
4-[(6-bromo-1,3-benzothiazol-2-yl)diazenyl]-3-methyl-N,N-dipropylaniline
CID 18737351
sodium 3-[4-[(5-bromo-2-pyridinyl)diazenyl]-3-hydroxy-N-propylanilino]propane-1-sulfonate
CID 135528952
CID 137221730
CID 137221730
N,N-dibutyl-3-ethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline
CID 163907954
[5-(dipropylamino)-2-[(6-phenyldiazenyl-1,3-benzothiazol-2-yl)diazenyl]phenyl]methanediol
CID 89191975
1-[2-[[4-[2-chloroethyl(methyl)amino]-2-hydroxyphenyl]diazenyl]-1,3-thiazol-5-yl]ethanone
CID 143874215
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923

Frequently Asked Questions

What is the IUPAC name of 5-(dipropylamino)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)diazenyl]phenol?
The IUPAC name of 5-(dipropylamino)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)diazenyl]phenol (CID 136648509) is 5-(dipropylamino)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)diazenyl]phenol.
What is the SMILES notation for 5-(dipropylamino)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)diazenyl]phenol?
The canonical SMILES for 5-(dipropylamino)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)diazenyl]phenol is CCCN(CCC)c1ccc(/N=N/c2nnc(CC)s2)c(O)c1.
What is the InChIKey of 5-(dipropylamino)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)diazenyl]phenol?
The InChIKey is VVKBFMQIYUZEAY-HTXNQAPBSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-4-9-21(10-5-2)12-7-8-13(14(22)11-12)17-19-16-20-18-15(6-3)23-16/h7-8,11,22H,4-6,9-10H2,1-3H3/b19-17+.
What are the key properties of 5-(dipropylamino)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)diazenyl]phenol?
5-(dipropylamino)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)diazenyl]phenol has a molecular weight of 333.46 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dipropylamino)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)diazenyl]phenol is sourced from PubChem (CID 136648509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).