N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide

C16H14N4OS2 — CID 5197629

IUPACN-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
SMILESCc1nnc(Sc2cc(C(=O)NC3CC3)c3ccccc3n2)s1
InChIInChI=1S/C16H14N4OS2/c1-9-19-20-16(22-9)23-14-8-12(15(21)17-10-6-7-10)11-4-2-3-5-13(11)18-14/h2-5,8,10H,6-7H2,1H3,(H,17,21)
InChIKeyKDRBMRRQMQHEIM-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.44
Rot. Bonds4

About N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide

N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide (PubChem CID 5197629) has the molecular formula C16H14N4OS2 and a molecular weight of 342.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
PubChem CID5197629
Molecular FormulaC16H14N4OS2
Molecular Weight342.45 g/mol
Exact Mass342.06
IUPAC NameN-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
SMILESCc1nnc(Sc2cc(C(=O)NC3CC3)c3ccccc3n2)s1
InChIInChI=1S/C16H14N4OS2/c1-9-19-20-16(22-9)23-14-8-12(15(21)17-10-6-7-10)11-4-2-3-5-13(11)18-14/h2-5,8,10H,6-7H2,1H3,(H,17,21)
InChIKeyKDRBMRRQMQHEIM-UHFFFAOYSA-N
XLogP3.44
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide (CID 5197629) is N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide is Cc1nnc(Sc2cc(C(=O)NC3CC3)c3ccccc3n2)s1.
What is the InChIKey of N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide?
The InChIKey is KDRBMRRQMQHEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS2/c1-9-19-20-16(22-9)23-14-8-12(15(21)17-10-6-7-10)11-4-2-3-5-13(11)18-14/h2-5,8,10H,6-7H2,1H3,(H,17,21).
What are the key properties of N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide?
N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide is sourced from PubChem (CID 5197629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).