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

C9H17ClN4OS — CID 119279881

IUPAC(2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1nnc(C(C)(C)C)s1.Cl
InChIInChI=1S/C9H16N4OS.ClH/c1-5(10)6(14)11-8-13-12-7(15-8)9(2,3)4;/h5H,10H2,1-4H3,(H,11,13,14);1H/t5-;/m0./s1
InChIKeyLCJQBLBJEBXWMR-JEDNCBNOSA-N
MW264.78 g/mol
LogP1.54
Rot. Bonds2

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

(2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride (PubChem CID 119279881) has the molecular formula C9H17ClN4OS and a molecular weight of 264.78 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
PubChem CID119279881
Molecular FormulaC9H17ClN4OS
Molecular Weight264.78 g/mol
Exact Mass264.08
IUPAC Name(2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
SMILESC[C@H](N)C(=O)Nc1nnc(C(C)(C)C)s1.Cl
InChIInChI=1S/C9H16N4OS.ClH/c1-5(10)6(14)11-8-13-12-7(15-8)9(2,3)4;/h5H,10H2,1-4H3,(H,11,13,14);1H/t5-;/m0./s1
InChIKeyLCJQBLBJEBXWMR-JEDNCBNOSA-N
XLogP1.54
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279568
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705899
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide
CID 1080641
(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
CID 68796251
1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119705865
(2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119338753
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-(1,2,4-triazol-4-yl)butanamide
CID 138046702
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylhexanamide
CID 2914170
(2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119338754
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 166405074
(2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide
CID 18642236
(2S)-2-amino-N-(thiatriazol-5-yl)propanamide
CID 104982976

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride (CID 119279881) is (2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride is C[C@H](N)C(=O)Nc1nnc(C(C)(C)C)s1.Cl.
What is the InChIKey of (2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride?
The InChIKey is LCJQBLBJEBXWMR-JEDNCBNOSA-N. The full InChI is InChI=1S/C9H16N4OS.ClH/c1-5(10)6(14)11-8-13-12-7(15-8)9(2,3)4;/h5H,10H2,1-4H3,(H,11,13,14);1H/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride?
(2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride has a molecular weight of 264.78 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119279881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).