3-(2-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide

C24H22N4O3S — CID 176555695

IUPAC3-(2-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cnccc1C(=O)Nc1nnc(CCCOc2ccccc2)s1
InChIInChI=1S/C24H22N4O3S/c1-30-21-11-6-5-10-18(21)20-16-25-14-13-19(20)23(29)26-24-28-27-22(32-24)12-7-15-31-17-8-3-2-4-9-17/h2-6,8-11,13-14,16H,7,12,15H2,1H3,(H,26,28,29)
InChIKeyUCKRZVRQJVUFSM-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.87
Rot. Bonds9

About 3-(2-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide

3-(2-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide (PubChem CID 176555695) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
PubChem CID176555695
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name3-(2-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1ccccc1-c1cnccc1C(=O)Nc1nnc(CCCOc2ccccc2)s1
InChIInChI=1S/C24H22N4O3S/c1-30-21-11-6-5-10-18(21)20-16-25-14-13-19(20)23(29)26-24-28-27-22(32-24)12-7-15-31-17-8-3-2-4-9-17/h2-6,8-11,13-14,16H,7,12,15H2,1H3,(H,26,28,29)
InChIKeyUCKRZVRQJVUFSM-UHFFFAOYSA-N
XLogP4.87
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17320419
N-[5-[(4-cyanophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 175679881
N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155353937
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
3-(2-methoxyphenyl)-N-[5-[(3-methylphenyl)methoxy]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 155733083
N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide;ethane
CID 176555684
2-(4-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17319688
2-phenoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17320789
4-chloro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319563
N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 168984844
3-methyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319770
N-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946201

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide (CID 176555695) is 3-(2-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide is COc1ccccc1-c1cnccc1C(=O)Nc1nnc(CCCOc2ccccc2)s1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is UCKRZVRQJVUFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-30-21-11-6-5-10-18(21)20-16-25-14-13-19(20)23(29)26-24-28-27-22(32-24)12-7-15-31-17-8-3-2-4-9-17/h2-6,8-11,13-14,16H,7,12,15H2,1H3,(H,26,28,29).
What are the key properties of 3-(2-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
3-(2-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 176555695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).