2-(4-methylcyclohexa-2,4-dien-1-yl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide

C20H17N3OS — CID 71214257

IUPAC2-(4-methylcyclohexa-2,4-dien-1-yl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
SMILESCC1=CCC(c2nc(C(=O)Nc3ccc4ncccc4c3)cs2)C=C1
InChIInChI=1S/C20H17N3OS/c1-13-4-6-14(7-5-13)20-23-18(12-25-20)19(24)22-16-8-9-17-15(11-16)3-2-10-21-17/h2-6,8-12,14H,7H2,1H3,(H,22,24)
InChIKeyPVJQQNUASUAOPL-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.93
Rot. Bonds3

About 2-(4-methylcyclohexa-2,4-dien-1-yl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide

2-(4-methylcyclohexa-2,4-dien-1-yl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide (PubChem CID 71214257) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(4-methylcyclohexa-2,4-dien-1-yl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylcyclohexa-2,4-dien-1-yl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
PubChem CID71214257
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name2-(4-methylcyclohexa-2,4-dien-1-yl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
SMILESCC1=CCC(c2nc(C(=O)Nc3ccc4ncccc4c3)cs2)C=C1
InChIInChI=1S/C20H17N3OS/c1-13-4-6-14(7-5-13)20-23-18(12-25-20)19(24)22-16-8-9-17-15(11-16)3-2-10-21-17/h2-6,8-12,14H,7H2,1H3,(H,22,24)
InChIKeyPVJQQNUASUAOPL-UHFFFAOYSA-N
XLogP4.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylcyclohexa-2,4-dien-1-yl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 66378461
2-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 5010874
N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 63047708
2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697056
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 4999345
2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 3446704
N-quinolin-6-ylbenzamide
CID 833617
5-chloro-N-quinolin-6-ylpyrazine-2-carboxamide
CID 103803742
3-bromo-N-quinolin-6-ylthiophene-2-carboxamide
CID 60783620
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
2-chloro-N-quinolin-6-ylacetamide
CID 3144388

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexa-2,4-dien-1-yl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methylcyclohexa-2,4-dien-1-yl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide (CID 71214257) is 2-(4-methylcyclohexa-2,4-dien-1-yl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methylcyclohexa-2,4-dien-1-yl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methylcyclohexa-2,4-dien-1-yl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide is CC1=CCC(c2nc(C(=O)Nc3ccc4ncccc4c3)cs2)C=C1.
What is the InChIKey of 2-(4-methylcyclohexa-2,4-dien-1-yl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide?
The InChIKey is PVJQQNUASUAOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-13-4-6-14(7-5-13)20-23-18(12-25-20)19(24)22-16-8-9-17-15(11-16)3-2-10-21-17/h2-6,8-12,14H,7H2,1H3,(H,22,24).
What are the key properties of 2-(4-methylcyclohexa-2,4-dien-1-yl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide?
2-(4-methylcyclohexa-2,4-dien-1-yl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexa-2,4-dien-1-yl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71214257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).