3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

C20H16N4OS — CID 4101580

IUPAC3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2nc3ccccc3c(C(=O)Nc3nncs3)c2C)cc1
InChIInChI=1S/C20H16N4OS/c1-12-7-9-14(10-8-12)18-13(2)17(15-5-3-4-6-16(15)22-18)19(25)23-20-24-21-11-26-20/h3-11H,1-2H3,(H,23,24,25)
InChIKeyTXRSLTRSFOOPLA-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.62
Rot. Bonds3

About 3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (PubChem CID 4101580) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
PubChem CID4101580
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2nc3ccccc3c(C(=O)Nc3nncs3)c2C)cc1
InChIInChI=1S/C20H16N4OS/c1-12-7-9-14(10-8-12)18-13(2)17(15-5-3-4-6-16(15)22-18)19(25)23-20-24-21-11-26-20/h3-11H,1-2H3,(H,23,24,25)
InChIKeyTXRSLTRSFOOPLA-UHFFFAOYSA-N
XLogP4.62
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4292288
3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 4079544
2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5142369
3-methyl-2-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4185223
4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid
CID 3395284
3-methyl-2-(4-methylphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4642101
N-(4-acetylphenyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1312279
3-methyl-2-(4-methylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 3292956
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5142108
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylquinoline-4-carboxamide
CID 3624127
2-(4-methoxyphenyl)-3-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3308982
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (CID 4101580) is 3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2nc3ccccc3c(C(=O)Nc3nncs3)c2C)cc1.
What is the InChIKey of 3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is TXRSLTRSFOOPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-12-7-9-14(10-8-12)18-13(2)17(15-5-3-4-6-16(15)22-18)19(25)23-20-24-21-11-26-20/h3-11H,1-2H3,(H,23,24,25).
What are the key properties of 3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 4101580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).