heptan-2-yl-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]diazene

C17H23N3OS — CID 91933282

IUPACheptan-2-yl-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]diazene
SMILESCCCCCC(C)/N=N/c1nc(-c2cccc(OC)c2)cs1
InChIInChI=1S/C17H23N3OS/c1-4-5-6-8-13(2)19-20-17-18-16(12-22-17)14-9-7-10-15(11-14)21-3/h7,9-13H,4-6,8H2,1-3H3/b20-19+
InChIKeyHYVNXUPTGRWKOB-FMQUCBEESA-N
MW317.46 g/mol
LogP5.87
Rot. Bonds8

About heptan-2-yl-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]diazene

heptan-2-yl-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]diazene (PubChem CID 91933282) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is heptan-2-yl-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]diazene.

Molecular Properties

Compound Nameheptan-2-yl-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]diazene
PubChem CID91933282
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Nameheptan-2-yl-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]diazene
SMILESCCCCCC(C)/N=N/c1nc(-c2cccc(OC)c2)cs1
InChIInChI=1S/C17H23N3OS/c1-4-5-6-8-13(2)19-20-17-18-16(12-22-17)14-9-7-10-15(11-14)21-3/h7,9-13H,4-6,8H2,1-3H3/b20-19+
InChIKeyHYVNXUPTGRWKOB-FMQUCBEESA-N
XLogP5.87
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.46
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxyphenyl)-1-pentylimidazol-2-amine
CID 162671245
4-(3-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride
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1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 46785544
N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 60642120
3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
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CID 82118916
2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 9122841
4-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570157
2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 46246000
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
4-(3-methoxyphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536570
4-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]-1,3-thiazol-2-amine
CID 82452981

Frequently Asked Questions

What is the IUPAC name of heptan-2-yl-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]diazene?
The IUPAC name of heptan-2-yl-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]diazene (CID 91933282) is heptan-2-yl-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]diazene.
What is the SMILES notation for heptan-2-yl-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]diazene?
The canonical SMILES for heptan-2-yl-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]diazene is CCCCCC(C)/N=N/c1nc(-c2cccc(OC)c2)cs1.
What is the InChIKey of heptan-2-yl-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]diazene?
The InChIKey is HYVNXUPTGRWKOB-FMQUCBEESA-N. The full InChI is InChI=1S/C17H23N3OS/c1-4-5-6-8-13(2)19-20-17-18-16(12-22-17)14-9-7-10-15(11-14)21-3/h7,9-13H,4-6,8H2,1-3H3/b20-19+.
What are the key properties of heptan-2-yl-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]diazene?
heptan-2-yl-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]diazene has a molecular weight of 317.46 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-2-yl-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]diazene is sourced from PubChem (CID 91933282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).