7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide

C14H19N5OS — CID 119855706

IUPAC7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide
SMILESNCCCCCCC(=O)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C14H19N5OS/c15-9-5-2-1-3-8-12(20)17-14-19-18-13(21-14)11-7-4-6-10-16-11/h4,6-7,10H,1-3,5,8-9,15H2,(H,17,19,20)
InChIKeyVTLWMOQLCBIMLE-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.45
Rot. Bonds8

About 7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide

7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide (PubChem CID 119855706) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide
PubChem CID119855706
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide
SMILESNCCCCCCC(=O)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C14H19N5OS/c15-9-5-2-1-3-8-12(20)17-14-19-18-13(21-14)11-7-4-6-10-16-11/h4,6-7,10H,1-3,5,8-9,15H2,(H,17,19,20)
InChIKeyVTLWMOQLCBIMLE-UHFFFAOYSA-N
XLogP2.45
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
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3-(2-ethoxyphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide
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1-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 119855704
4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
CID 120939549
2-(2-methoxyethylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 119855748
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 55810195
7-amino-N-(pyridin-2-ylmethyl)heptanamide
CID 24706457
2-(3-acetylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 55807297
N-[5-amino-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentyl]acetamide
CID 142574787
4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide
CID 39182812
2-methyl-3-(methylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide;dihydrochloride
CID 119855733

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide?
The IUPAC name of 7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide (CID 119855706) is 7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide.
What is the SMILES notation for 7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide?
The canonical SMILES for 7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide is NCCCCCCC(=O)Nc1nnc(-c2ccccn2)s1.
What is the InChIKey of 7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide?
The InChIKey is VTLWMOQLCBIMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c15-9-5-2-1-3-8-12(20)17-14-19-18-13(21-14)11-7-4-6-10-16-11/h4,6-7,10H,1-3,5,8-9,15H2,(H,17,19,20).
What are the key properties of 7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide?
7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide has a molecular weight of 305.41 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)heptanamide is sourced from PubChem (CID 119855706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).