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

C14H19ClN4OS — CID 119949175

IUPAC3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
SMILESCC(C)c1nnc(NC(=O)CC(N)c2ccccc2)s1.Cl
InChIInChI=1S/C14H18N4OS.ClH/c1-9(2)13-17-18-14(20-13)16-12(19)8-11(15)10-6-4-3-5-7-10;/h3-7,9,11H,8,15H2,1-2H3,(H,16,18,19);1H
InChIKeyCIEPPLGPMUWKHO-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.11
Rot. Bonds5

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

3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride (PubChem CID 119949175) has the molecular formula C14H19ClN4OS and a molecular weight of 326.85 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
PubChem CID119949175
Molecular FormulaC14H19ClN4OS
Molecular Weight326.85 g/mol
Exact Mass326.10
IUPAC Name3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
SMILESCC(C)c1nnc(NC(=O)CC(N)c2ccccc2)s1.Cl
InChIInChI=1S/C14H18N4OS.ClH/c1-9(2)13-17-18-14(20-13)16-12(19)8-11(15)10-6-4-3-5-7-10;/h3-7,9,11H,8,15H2,1-2H3,(H,16,18,19);1H
InChIKeyCIEPPLGPMUWKHO-UHFFFAOYSA-N
XLogP3.11
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
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(3R)-3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 129450244
(3S)-3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 98305028
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3-amino-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
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3-acetamido-3-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride?
The IUPAC name of 3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride (CID 119949175) is 3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride is CC(C)c1nnc(NC(=O)CC(N)c2ccccc2)s1.Cl.
What is the InChIKey of 3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride?
The InChIKey is CIEPPLGPMUWKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS.ClH/c1-9(2)13-17-18-14(20-13)16-12(19)8-11(15)10-6-4-3-5-7-10;/h3-7,9,11H,8,15H2,1-2H3,(H,16,18,19);1H.
What are the key properties of 3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride?
3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride has a molecular weight of 326.85 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119949175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).