4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

C19H27N3O3S — CID 55360863

IUPAC4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2nnc(CCC)s2)cc1OC
InChIInChI=1S/C19H27N3O3S/c1-4-6-7-8-12-25-15-11-10-14(13-16(15)24-3)18(23)20-19-22-21-17(26-19)9-5-2/h10-11,13H,4-9,12H2,1-3H3,(H,20,22,23)
InChIKeyQKJXETQWBMDZLL-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.71
Rot. Bonds11

About 4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 55360863) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID55360863
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2nnc(CCC)s2)cc1OC
InChIInChI=1S/C19H27N3O3S/c1-4-6-7-8-12-25-15-11-10-14(13-16(15)24-3)18(23)20-19-22-21-17(26-19)9-5-2/h10-11,13H,4-9,12H2,1-3H3,(H,20,22,23)
InChIKeyQKJXETQWBMDZLL-UHFFFAOYSA-N
XLogP4.71
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 31038115
3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-cyclopentyloxy-3-methoxybenzamide
CID 55792414
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
4-butoxy-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2666591
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1086871
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
4-hexoxy-3-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3408035
2,4,5-trimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8933648
4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
CID 60589873

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CID 55360863) is 4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is CCCCCCOc1ccc(C(=O)Nc2nnc(CCC)s2)cc1OC.
What is the InChIKey of 4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is QKJXETQWBMDZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-4-6-7-8-12-25-15-11-10-14(13-16(15)24-3)18(23)20-19-22-21-17(26-19)9-5-2/h10-11,13H,4-9,12H2,1-3H3,(H,20,22,23).
What are the key properties of 4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 377.51 g/mol, XLogP of 4.71, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 55360863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).