N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide

C16H22N4O2S — CID 70747598

IUPACN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)NCCc2nnc(N)s2)c1
InChIInChI=1S/C16H22N4O2S/c1-16(2,22)8-6-11-4-3-5-12(10-11)14(21)18-9-7-13-19-20-15(17)23-13/h3-5,10,22H,6-9H2,1-2H3,(H2,17,20)(H,18,21)
InChIKeyDPQDSGOBONUVFE-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.80
Rot. Bonds7

About N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide (PubChem CID 70747598) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
PubChem CID70747598
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)NCCc2nnc(N)s2)c1
InChIInChI=1S/C16H22N4O2S/c1-16(2,22)8-6-11-4-3-5-12(10-11)14(21)18-9-7-13-19-20-15(17)23-13/h3-5,10,22H,6-9H2,1-2H3,(H2,17,20)(H,18,21)
InChIKeyDPQDSGOBONUVFE-UHFFFAOYSA-N
XLogP1.80
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 70765860
3-(3-hydroxy-3-methylbutyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 70763675
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide
CID 46785995
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3-benzamidobenzamide
CID 92659801
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97195563
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70719311
N-(1-carbamoylcyclopentyl)-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70749423
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dichlorobenzamide
CID 92659568
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dimethoxybenzamide
CID 92659573
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70788922
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-methyl-4-nitrobenzamide
CID 92659592
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 92659644

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide?
The IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide (CID 70747598) is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide.
What is the SMILES notation for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide?
The canonical SMILES for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide is CC(C)(O)CCc1cccc(C(=O)NCCc2nnc(N)s2)c1.
What is the InChIKey of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide?
The InChIKey is DPQDSGOBONUVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-16(2,22)8-6-11-4-3-5-12(10-11)14(21)18-9-7-13-19-20-15(17)23-13/h3-5,10,22H,6-9H2,1-2H3,(H2,17,20)(H,18,21).
What are the key properties of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide?
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide has a molecular weight of 334.45 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide is sourced from PubChem (CID 70747598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).