3-(2-aminoethoxy)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]benzamide

C14H19N5O2S — CID 118777236

IUPAC3-(2-aminoethoxy)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1cccc(OCCN)c1)c1nnc(N)s1
InChIInChI=1S/C14H19N5O2S/c1-14(2,12-18-19-13(16)22-12)17-11(20)9-4-3-5-10(8-9)21-7-6-15/h3-5,8H,6-7,15H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyGLVKCDKNTULSHM-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.12
Rot. Bonds6

About 3-(2-aminoethoxy)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]benzamide

3-(2-aminoethoxy)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]benzamide (PubChem CID 118777236) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]benzamide
PubChem CID118777236
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name3-(2-aminoethoxy)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1cccc(OCCN)c1)c1nnc(N)s1
InChIInChI=1S/C14H19N5O2S/c1-14(2,12-18-19-13(16)22-12)17-11(20)9-4-3-5-10(8-9)21-7-6-15/h3-5,8H,6-7,15H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyGLVKCDKNTULSHM-UHFFFAOYSA-N
XLogP1.12
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 118774721
N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide
CID 63765536
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide
CID 119626863
N-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide
CID 81487028
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide
CID 119598109
3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide
CID 118781649
N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide
CID 119571027
[3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone
CID 96662606
3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide
CID 119074684
tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate
CID 156819756
(2S)-2-(2,5-difluorophenyl)-2-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 97233833

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]benzamide?
The IUPAC name of 3-(2-aminoethoxy)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]benzamide (CID 118777236) is 3-(2-aminoethoxy)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]benzamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]benzamide?
The canonical SMILES for 3-(2-aminoethoxy)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]benzamide is CC(C)(NC(=O)c1cccc(OCCN)c1)c1nnc(N)s1.
What is the InChIKey of 3-(2-aminoethoxy)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]benzamide?
The InChIKey is GLVKCDKNTULSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-14(2,12-18-19-13(16)22-12)17-11(20)9-4-3-5-10(8-9)21-7-6-15/h3-5,8H,6-7,15H2,1-2H3,(H2,16,19)(H,17,20).
What are the key properties of 3-(2-aminoethoxy)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]benzamide?
3-(2-aminoethoxy)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]benzamide has a molecular weight of 321.41 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]benzamide is sourced from PubChem (CID 118777236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).