6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide

C15H13FN4O2S — CID 108802513

IUPAC6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide
SMILESCOCc1nnc(NC(=O)c2cc(C)nc3ccc(F)cc23)s1
InChIInChI=1S/C15H13FN4O2S/c1-8-5-11(10-6-9(16)3-4-12(10)17-8)14(21)18-15-20-19-13(23-15)7-22-2/h3-6H,7H2,1-2H3,(H,18,20,21)
InChIKeyKYFVHZNSVOCSBP-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.93
Rot. Bonds4

About 6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide

6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide (PubChem CID 108802513) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide
PubChem CID108802513
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide
SMILESCOCc1nnc(NC(=O)c2cc(C)nc3ccc(F)cc23)s1
InChIInChI=1S/C15H13FN4O2S/c1-8-5-11(10-6-9(16)3-4-12(10)17-8)14(21)18-15-20-19-13(23-15)7-22-2/h3-6H,7H2,1-2H3,(H,18,20,21)
InChIKeyKYFVHZNSVOCSBP-UHFFFAOYSA-N
XLogP2.93
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide
CID 19224449
6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 108789697
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide
CID 108811202
dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 4732272
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide
CID 108802498
6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide
CID 108789542
methyl 3-(6-fluoro-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82666021
6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide
CID 4732337
6-fluoro-2-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732250
2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid
CID 108789589
4-fluoro-N-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 51138217
5-bromo-2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzoic acid
CID 108789645

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide (CID 108802513) is 6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide is COCc1nnc(NC(=O)c2cc(C)nc3ccc(F)cc23)s1.
What is the InChIKey of 6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide?
The InChIKey is KYFVHZNSVOCSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c1-8-5-11(10-6-9(16)3-4-12(10)17-8)14(21)18-15-20-19-13(23-15)7-22-2/h3-6H,7H2,1-2H3,(H,18,20,21).
What are the key properties of 6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide?
6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 108802513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).