3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide

C10H18N4OS — CID 107641923

IUPAC3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCc1nnc(NC(=O)CC(CC)CN)s1
InChIInChI=1S/C10H18N4OS/c1-3-7(6-11)5-8(15)12-10-14-13-9(4-2)16-10/h7H,3-6,11H2,1-2H3,(H,12,14,15)
InChIKeyANSGKDWSKWAURQ-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.41
Rot. Bonds6

About 3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide

3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide (PubChem CID 107641923) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide
PubChem CID107641923
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCc1nnc(NC(=O)CC(CC)CN)s1
InChIInChI=1S/C10H18N4OS/c1-3-7(6-11)5-8(15)12-10-14-13-9(4-2)16-10/h7H,3-6,11H2,1-2H3,(H,12,14,15)
InChIKeyANSGKDWSKWAURQ-UHFFFAOYSA-N
XLogP1.41
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-Piperidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-isobutyramide
CID 1399018
N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 702129
Propionamide, N-(5-butyl-1,3,4-thiadiazol-2-yl)-
CID 3065345
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
CID 655064
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 847063
2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide
CID 741742
3-cyclohexyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 889545
N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4-(piperidin-1-yl)butanamide
CID 942712
6-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3477045
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 8750027
N-cyclopentyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 942243
3-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 903243

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide (CID 107641923) is 3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide is CCc1nnc(NC(=O)CC(CC)CN)s1.
What is the InChIKey of 3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide?
The InChIKey is ANSGKDWSKWAURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-7(6-11)5-8(15)12-10-14-13-9(4-2)16-10/h7H,3-6,11H2,1-2H3,(H,12,14,15).
What are the key properties of 3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide?
3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide has a molecular weight of 242.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide is sourced from PubChem (CID 107641923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).