2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide

C12H22N4OS — CID 113228219

IUPAC2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide
SMILESCCCCC(N)C(=O)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C12H22N4OS/c1-4-5-6-9(13)11(17)14-12-16-15-10(18-12)7-8(2)3/h8-9H,4-7,13H2,1-3H3,(H,14,16,17)
InChIKeyGNJCTLXKZMVNIC-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.19
Rot. Bonds7

About 2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide

2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide (PubChem CID 113228219) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide
PubChem CID113228219
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide
SMILESCCCCC(N)C(=O)Nc1nnc(CC(C)C)s1
InChIInChI=1S/C12H22N4OS/c1-4-5-6-9(13)11(17)14-12-16-15-10(18-12)7-8(2)3/h8-9H,4-7,13H2,1-3H3,(H,14,16,17)
InChIKeyGNJCTLXKZMVNIC-UHFFFAOYSA-N
XLogP2.19
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 103580701
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
2-amino-2-(4-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 106151126
2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 119264571
3-chloro-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 106260360
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669
2-amino-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride
CID 119319962
2-amino-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide;hydrochloride
CID 119678026
2-acetamido-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 47097701
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
2-methyl-2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 106261041
2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91654516

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide?
The IUPAC name of 2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide (CID 113228219) is 2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide.
What is the SMILES notation for 2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide?
The canonical SMILES for 2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide is CCCCC(N)C(=O)Nc1nnc(CC(C)C)s1.
What is the InChIKey of 2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide?
The InChIKey is GNJCTLXKZMVNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-4-5-6-9(13)11(17)14-12-16-15-10(18-12)7-8(2)3/h8-9H,4-7,13H2,1-3H3,(H,14,16,17).
What are the key properties of 2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide?
2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide has a molecular weight of 270.40 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]hexanamide is sourced from PubChem (CID 113228219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).