2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C18H27N5OS — CID 60553366

IUPAC2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCCCCCCCc1nnc(NC(=O)c2cccnc2N(C)C)s1
InChIInChI=1S/C18H27N5OS/c1-4-5-6-7-8-9-12-15-21-22-18(25-15)20-17(24)14-11-10-13-19-16(14)23(2)3/h10-11,13H,4-9,12H2,1-3H3,(H,20,22,24)
InChIKeyUCLABBQKUCILAW-UHFFFAOYSA-N
MW361.52 g/mol
LogP4.15
Rot. Bonds10

About 2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 60553366) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID60553366
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC Name2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCCCCCCCc1nnc(NC(=O)c2cccnc2N(C)C)s1
InChIInChI=1S/C18H27N5OS/c1-4-5-6-7-8-9-12-15-21-22-18(25-15)20-17(24)14-11-10-13-19-16(14)23(2)3/h10-11,13H,4-9,12H2,1-3H3,(H,20,22,24)
InChIKeyUCLABBQKUCILAW-UHFFFAOYSA-N
XLogP4.15
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 54.15
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

2-(2-methoxyethoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 60567241
N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoline-8-carboxamide
CID 24667862
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838
N-(5-pentyl-1,3,4-thiadiazol-2-yl)quinoxaline-5-carboxamide
CID 134698300
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-phenoxypyridine-3-carboxamide
CID 24648214
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
CID 26197202
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 146128553
3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 26209843
4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 166349724

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 60553366) is 2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CCCCCCCCc1nnc(NC(=O)c2cccnc2N(C)C)s1.
What is the InChIKey of 2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is UCLABBQKUCILAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-4-5-6-7-8-9-12-15-21-22-18(25-15)20-17(24)14-11-10-13-19-16(14)23(2)3/h10-11,13H,4-9,12H2,1-3H3,(H,20,22,24).
What are the key properties of 2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 361.52 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 60553366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).