N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide

C12H14N4O2S — CID 122567122

IUPACN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)ccc1C(=O)NCc1nnc(N)s1
InChIInChI=1S/C12H14N4O2S/c1-7-3-4-8(9(5-7)18-2)11(17)14-6-10-15-16-12(13)19-10/h3-5H,6H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyMXTYHLYCIIFQDV-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.37
Rot. Bonds4

About N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide (PubChem CID 122567122) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide
PubChem CID122567122
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)ccc1C(=O)NCc1nnc(N)s1
InChIInChI=1S/C12H14N4O2S/c1-7-3-4-8(9(5-7)18-2)11(17)14-6-10-15-16-12(13)19-10/h3-5H,6H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyMXTYHLYCIIFQDV-UHFFFAOYSA-N
XLogP1.37
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide
CID 92660456
N-[(5-iodo-2-methoxyphenyl)methyl]-2-methoxy-4-methylbenzamide
CID 102034384
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide
CID 91768199
5-[[(2,4-dimethoxybenzoyl)amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53099787
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-ethoxybenzamide
CID 92659579
2-methoxy-N-[(2-methoxyquinolin-4-yl)methyl]-4-methylbenzamide
CID 136533990
4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 47449992
2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 55735719
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]-3,4,5-trimethoxybenzamide
CID 92659644
5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 685779
5-amino-2-methyl-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;hydrochloride
CID 120635768

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide?
The IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide (CID 122567122) is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide?
The canonical SMILES for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide is COc1cc(C)ccc1C(=O)NCc1nnc(N)s1.
What is the InChIKey of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide?
The InChIKey is MXTYHLYCIIFQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-7-3-4-8(9(5-7)18-2)11(17)14-6-10-15-16-12(13)19-10/h3-5H,6H2,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide?
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide has a molecular weight of 278.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide is sourced from PubChem (CID 122567122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).