(2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide

C12H22N4OS — CID 119266054

IUPAC(2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(CC)c1nnc(NC(=O)[C@@H](N)C(C)C)s1
InChIInChI=1S/C12H22N4OS/c1-5-8(6-2)11-15-16-12(18-11)14-10(17)9(13)7(3)4/h7-9H,5-6,13H2,1-4H3,(H,14,16,17)/t9-/m0/s1
InChIKeyMPMQYRRIBVVJHG-VIFPVBQESA-N
MW270.40 g/mol
LogP2.36
Rot. Bonds6

About (2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide

(2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 119266054) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID119266054
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name(2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(CC)c1nnc(NC(=O)[C@@H](N)C(C)C)s1
InChIInChI=1S/C12H22N4OS/c1-5-8(6-2)11-15-16-12(18-11)14-10(17)9(13)7(3)4/h7-9H,5-6,13H2,1-4H3,(H,14,16,17)/t9-/m0/s1
InChIKeyMPMQYRRIBVVJHG-VIFPVBQESA-N
XLogP2.36
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide 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

(2S)-2-amino-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 119679541
2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 4161855
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-N'-propan-2-yloxamide
CID 47332757
2,2,2-trifluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19194854
1-(2-hydroxyethyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
CID 110908064
ethyl 2-[[5-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate;hydrochloride
CID 119264997
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
3-methyl-N-[(2S)-3-methyl-1-oxo-1-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]benzamide
CID 2089556
2-(3-bromophenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 19197549
4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675832
4-fluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086860

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 119266054) is (2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide is CCC(CC)c1nnc(NC(=O)[C@@H](N)C(C)C)s1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is MPMQYRRIBVVJHG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N4OS/c1-5-8(6-2)11-15-16-12(18-11)14-10(17)9(13)7(3)4/h7-9H,5-6,13H2,1-4H3,(H,14,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide?
(2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 270.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 119266054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).