N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide

C16H16N4O2S — CID 42562478

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2c[nH]c3ccccc3c2=O)s1
InChIInChI=1S/C16H16N4O2S/c1-9(2)7-13-19-20-16(23-13)18-15(22)11-8-17-12-6-4-3-5-10(12)14(11)21/h3-6,8-9H,7H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyJVGHAXUGMPESMU-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.83
Rot. Bonds4

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 42562478) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID42562478
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2c[nH]c3ccccc3c2=O)s1
InChIInChI=1S/C16H16N4O2S/c1-9(2)7-13-19-20-16(23-13)18-15(22)11-8-17-12-6-4-3-5-10(12)14(11)21/h3-6,8-9H,7H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyJVGHAXUGMPESMU-UHFFFAOYSA-N
XLogP2.83
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103871250
2,3-dihydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 104931749
6-methoxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
CID 43831767
2-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-oxoisoquinoline-4-carboxamide
CID 56762472
2,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 24647679
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 61246049
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-3-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 97259003
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-imidazole-2-carboxamide
CID 110466560
N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide
CID 1399795
4-fluoro-2-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103829678
2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 102709910

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide (CID 42562478) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide is CC(C)Cc1nnc(NC(=O)c2c[nH]c3ccccc3c2=O)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is JVGHAXUGMPESMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-9(2)7-13-19-20-16(23-13)18-15(22)11-8-17-12-6-4-3-5-10(12)14(11)21/h3-6,8-9H,7H2,1-2H3,(H,17,21)(H,18,20,22).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 42562478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).