3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one

C13H12N4OS — CID 103934132

IUPAC3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one
SMILESCc1nnc(NCc2cc3ccccc3[nH]c2=O)s1
InChIInChI=1S/C13H12N4OS/c1-8-16-17-13(19-8)14-7-10-6-9-4-2-3-5-11(9)15-12(10)18/h2-6H,7H2,1H3,(H,14,17)(H,15,18)
InChIKeyUWIHBTWBLJXCHJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.30
Rot. Bonds3

About 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one

3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one (PubChem CID 103934132) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one
PubChem CID103934132
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one
SMILESCc1nnc(NCc2cc3ccccc3[nH]c2=O)s1
InChIInChI=1S/C13H12N4OS/c1-8-16-17-13(19-8)14-7-10-6-9-4-2-3-5-11(9)15-12(10)18/h2-6H,7H2,1H3,(H,14,17)(H,15,18)
InChIKeyUWIHBTWBLJXCHJ-UHFFFAOYSA-N
XLogP2.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 944018
3-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-1H-quinolin-2-one
CID 104599995
3-[[(5-chloro-3-methyl-2-pyridinyl)amino]methyl]-1H-quinolin-2-one
CID 167878867
3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 46950057
3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one
CID 107631320
3-[(2-bromo-5-methylanilino)methyl]-1H-quinolin-2-one
CID 82745470
3-[(2-methylbut-3-yn-2-ylamino)methyl]-1H-quinolin-2-one
CID 63999144
3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one
CID 63280022
3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one
CID 79358473
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one
CID 103700259
3-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 115664647

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one (CID 103934132) is 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one is Cc1nnc(NCc2cc3ccccc3[nH]c2=O)s1.
What is the InChIKey of 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is UWIHBTWBLJXCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8-16-17-13(19-8)14-7-10-6-9-4-2-3-5-11(9)15-12(10)18/h2-6H,7H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one?
3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 272.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 103934132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).