3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride

C15H21ClN4OS — CID 119777277

IUPAC3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1nnc(C(C)(C)c2ccccc2)s1.Cl
InChIInChI=1S/C15H20N4OS.ClH/c1-10(16)9-12(20)17-14-19-18-13(21-14)15(2,3)11-7-5-4-6-8-11;/h4-8,10H,9,16H2,1-3H3,(H,17,19,20);1H
InChIKeySKLTZGSTNQKPOW-UHFFFAOYSA-N
MW340.88 g/mol
LogP2.96
Rot. Bonds5

About 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride

3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride (PubChem CID 119777277) has the molecular formula C15H21ClN4OS and a molecular weight of 340.88 g/mol. Its IUPAC name is 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride
PubChem CID119777277
Molecular FormulaC15H21ClN4OS
Molecular Weight340.88 g/mol
Exact Mass340.11
IUPAC Name3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1nnc(C(C)(C)c2ccccc2)s1.Cl
InChIInChI=1S/C15H20N4OS.ClH/c1-10(16)9-12(20)17-14-19-18-13(21-14)15(2,3)11-7-5-4-6-8-11;/h4-8,10H,9,16H2,1-3H3,(H,17,19,20);1H
InChIKeySKLTZGSTNQKPOW-UHFFFAOYSA-N
XLogP2.96
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119319888
(3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
CID 1122478
3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119949175
3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 119745140
1-(1-hydroxybutan-2-yl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 111107537
1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
CID 119319900
1-(2-hydroxypentyl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 111474711
3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
CID 119777248
3,5,5-trimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)hexanamide
CID 134157729
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 86896512
3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide
CID 110024955
3-amino-N-(4-phenylphenyl)butanamide
CID 60835996

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride (CID 119777277) is 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride is CC(N)CC(=O)Nc1nnc(C(C)(C)c2ccccc2)s1.Cl.
What is the InChIKey of 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride?
The InChIKey is SKLTZGSTNQKPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS.ClH/c1-10(16)9-12(20)17-14-19-18-13(21-14)15(2,3)11-7-5-4-6-8-11;/h4-8,10H,9,16H2,1-3H3,(H,17,19,20);1H.
What are the key properties of 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride?
3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride has a molecular weight of 340.88 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride is sourced from PubChem (CID 119777277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).