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

C8H14N4O2S — CID 103156755

IUPAC4-amino-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCOC(CN)CC(=O)Nc1nnc(C)s1
InChIInChI=1S/C8H14N4O2S/c1-5-11-12-8(15-5)10-7(13)3-6(4-9)14-2/h6H,3-4,9H2,1-2H3,(H,10,12,13)
InChIKeyXOQKRFLWWVBCKO-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.15
Rot. Bonds5

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

4-amino-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 103156755) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID103156755
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name4-amino-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCOC(CN)CC(=O)Nc1nnc(C)s1
InChIInChI=1S/C8H14N4O2S/c1-5-11-12-8(15-5)10-7(13)3-6(4-9)14-2/h6H,3-4,9H2,1-2H3,(H,10,12,13)
InChIKeyXOQKRFLWWVBCKO-UHFFFAOYSA-N
XLogP0.15
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide
CID 120589978
4-amino-3-methoxy-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide
CID 120593773
N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
CID 162747394
dimethyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]azanium
CID 6965716
ethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride
CID 120586454
4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide
CID 103155653
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 115624585
5-[(4-amino-3-methoxybutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 103156202
4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide
CID 120586855
4-amino-3-methoxy-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 103155915
4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide
CID 120587389
4-amino-3-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
CID 120593339

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide (CID 103156755) is 4-amino-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide is COC(CN)CC(=O)Nc1nnc(C)s1.
What is the InChIKey of 4-amino-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is XOQKRFLWWVBCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-5-11-12-8(15-5)10-7(13)3-6(4-9)14-2/h6H,3-4,9H2,1-2H3,(H,10,12,13).
What are the key properties of 4-amino-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
4-amino-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 230.29 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 103156755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).