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

C14H18N4OS — CID 119319888

IUPAC3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)(c1ccccc1)c1nnc(NC(=O)CCN)s1
InChIInChI=1S/C14H18N4OS/c1-14(2,10-6-4-3-5-7-10)12-17-18-13(20-12)16-11(19)8-9-15/h3-7H,8-9,15H2,1-2H3,(H,16,18,19)
InChIKeyKVRBLHWLXOXJIW-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.15
Rot. Bonds5

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

3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 119319888) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID119319888
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)(c1ccccc1)c1nnc(NC(=O)CCN)s1
InChIInChI=1S/C14H18N4OS/c1-14(2,10-6-4-3-5-7-10)12-17-18-13(20-12)16-11(19)8-9-15/h3-7H,8-9,15H2,1-2H3,(H,16,18,19)
InChIKeyKVRBLHWLXOXJIW-UHFFFAOYSA-N
XLogP2.15
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.15
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]butanamide;hydrochloride
CID 119777277
3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279556
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
1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
CID 119319900
3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
CID 119777248
1-(1-hydroxybutan-2-yl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 111107537
(3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
CID 1122478
1-(2-hydroxypentyl)-3-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 111474711
N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide
CID 2005532
3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119274458
3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119325693
4-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2175175

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide (CID 119319888) is 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide is CC(C)(c1ccccc1)c1nnc(NC(=O)CCN)s1.
What is the InChIKey of 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is KVRBLHWLXOXJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-14(2,10-6-4-3-5-7-10)12-17-18-13(20-12)16-11(19)8-9-15/h3-7H,8-9,15H2,1-2H3,(H,16,18,19).
What are the key properties of 3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 290.39 g/mol, XLogP of 2.15, 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]propanamide is sourced from PubChem (CID 119319888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).