7-fluoro-2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]quinoline-4-carboxamide

C18H16FN5OS — CID 70709976

IUPAC7-fluoro-2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCc2cn3nc(C)sc3n2)c2ccc(F)cc2n1
InChIInChI=1S/C18H16FN5OS/c1-10-7-15(14-4-3-12(19)8-16(14)21-10)17(25)20-6-5-13-9-24-18(22-13)26-11(2)23-24/h3-4,7-9H,5-6H2,1-2H3,(H,20,25)
InChIKeyCKGSBUHZNYXAJD-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.07
Rot. Bonds4

About 7-fluoro-2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]quinoline-4-carboxamide

7-fluoro-2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]quinoline-4-carboxamide (PubChem CID 70709976) has the molecular formula C18H16FN5OS and a molecular weight of 369.43 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]quinoline-4-carboxamide
PubChem CID70709976
Molecular FormulaC18H16FN5OS
Molecular Weight369.43 g/mol
Exact Mass369.11
IUPAC Name7-fluoro-2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCc2cn3nc(C)sc3n2)c2ccc(F)cc2n1
InChIInChI=1S/C18H16FN5OS/c1-10-7-15(14-4-3-12(19)8-16(14)21-10)17(25)20-6-5-13-9-24-18(22-13)26-11(2)23-24/h3-4,7-9H,5-6H2,1-2H3,(H,20,25)
InChIKeyCKGSBUHZNYXAJD-UHFFFAOYSA-N
XLogP3.07
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]quinoline-4-carboxamide with MolForge

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422325
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide
CID 110873512
3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110873509
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 70747971
7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 131917230
7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide
CID 86930224
7-fluoro-N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methylquinoline-4-carboxamide
CID 131908439
N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
CID 46409117
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]morpholine-4-carboxamide
CID 110873517
7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide
CID 111486130
7-fluoro-2-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]quinoline-4-carboxamide
CID 46473817
N-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 39575257

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]quinoline-4-carboxamide (CID 70709976) is 7-fluoro-2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]quinoline-4-carboxamide is Cc1cc(C(=O)NCCc2cn3nc(C)sc3n2)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is CKGSBUHZNYXAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5OS/c1-10-7-15(14-4-3-12(19)8-16(14)21-10)17(25)20-6-5-13-9-24-18(22-13)26-11(2)23-24/h3-4,7-9H,5-6H2,1-2H3,(H,20,25).
What are the key properties of 7-fluoro-2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]quinoline-4-carboxamide?
7-fluoro-2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 70709976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).