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

C14H18N4O4S — CID 92659644

IUPACN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCc2nnc(N)s2)cc(OC)c1OC
InChIInChI=1S/C14H18N4O4S/c1-20-9-6-8(7-10(21-2)12(9)22-3)13(19)16-5-4-11-17-18-14(15)23-11/h6-7H,4-5H2,1-3H3,(H2,15,18)(H,16,19)
InChIKeyMRVHWQHFVUHMOQ-UHFFFAOYSA-N
MW338.39 g/mol
LogP1.12
Rot. Bonds7

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

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 92659644) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
PubChem CID92659644
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCc2nnc(N)s2)cc(OC)c1OC
InChIInChI=1S/C14H18N4O4S/c1-20-9-6-8(7-10(21-2)12(9)22-3)13(19)16-5-4-11-17-18-14(15)23-11/h6-7H,4-5H2,1-3H3,(H2,15,18)(H,16,19)
InChIKeyMRVHWQHFVUHMOQ-UHFFFAOYSA-N
XLogP1.12
TPSA108.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dimethoxybenzamide
CID 92659573
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,5-dinitrobenzamide
CID 92659476
3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide
CID 110720007
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 91831542
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N-(3-amino-3-hydroxyiminopropyl)-3,4,5-trimethoxybenzamide
CID 76952749
N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110605237
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 110718742
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-methyl-4-nitrobenzamide
CID 92659592
3,4,5-trimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728397
3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739313

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide (CID 92659644) is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCCc2nnc(N)s2)cc(OC)c1OC.
What is the InChIKey of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is MRVHWQHFVUHMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-20-9-6-8(7-10(21-2)12(9)22-3)13(19)16-5-4-11-17-18-14(15)23-11/h6-7H,4-5H2,1-3H3,(H2,15,18)(H,16,19).
What are the key properties of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide?
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 338.39 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 92659644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).