3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride

C8H15ClN4OS — CID 119274458

IUPAC3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
SMILESCC(C)c1nnc(NC(=O)CCN)s1.Cl
InChIInChI=1S/C8H14N4OS.ClH/c1-5(2)7-11-12-8(14-7)10-6(13)3-4-9;/h5H,3-4,9H2,1-2H3,(H,10,12,13);1H
InChIKeyNIKKZBUMRKLUHD-UHFFFAOYSA-N
MW250.75 g/mol
LogP1.37
Rot. Bonds4

About 3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride

3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride (PubChem CID 119274458) has the molecular formula C8H15ClN4OS and a molecular weight of 250.75 g/mol. Its IUPAC name is 3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
PubChem CID119274458
Molecular FormulaC8H15ClN4OS
Molecular Weight250.75 g/mol
Exact Mass250.07
IUPAC Name3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
SMILESCC(C)c1nnc(NC(=O)CCN)s1.Cl
InChIInChI=1S/C8H14N4OS.ClH/c1-5(2)7-11-12-8(14-7)10-6(13)3-4-9;/h5H,3-4,9H2,1-2H3,(H,10,12,13);1H
InChIKeyNIKKZBUMRKLUHD-UHFFFAOYSA-N
XLogP1.37
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate
CID 3065352
ethyl 3-oxo-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propanoate
CID 666246
4-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride
CID 120561104
N-butyl-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
CID 3065368
3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119949175
4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 46542151
3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279556
N-(3-bromophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1416510
4-(azepan-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 943863
4-(4-fluorophenyl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 51241875
N-[[4-(carbamoylamino)phenyl]methyl]-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
CID 154745932
2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 47120464

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride (CID 119274458) is 3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride is CC(C)c1nnc(NC(=O)CCN)s1.Cl.
What is the InChIKey of 3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride?
The InChIKey is NIKKZBUMRKLUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS.ClH/c1-5(2)7-11-12-8(14-7)10-6(13)3-4-9;/h5H,3-4,9H2,1-2H3,(H,10,12,13);1H.
What are the key properties of 3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride?
3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride has a molecular weight of 250.75 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119274458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).