N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide

C16H12N4O2S2 — CID 122589321

IUPACN-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
SMILESO=C1CCc2cc(-c3csc(NC(=O)c4cncs4)n3)ccc2N1
InChIInChI=1S/C16H12N4O2S2/c21-14-4-2-9-5-10(1-3-11(9)18-14)12-7-23-16(19-12)20-15(22)13-6-17-8-24-13/h1,3,5-8H,2,4H2,(H,18,21)(H,19,20,22)
InChIKeyNKZXPTRPRQTSDN-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.40
Rot. Bonds3

About N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide

N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 122589321) has the molecular formula C16H12N4O2S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID122589321
Molecular FormulaC16H12N4O2S2
Molecular Weight356.43 g/mol
Exact Mass356.04
IUPAC NameN-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
SMILESO=C1CCc2cc(-c3csc(NC(=O)c4cncs4)n3)ccc2N1
InChIInChI=1S/C16H12N4O2S2/c21-14-4-2-9-5-10(1-3-11(9)18-14)12-7-23-16(19-12)20-15(22)13-6-17-8-24-13/h1,3,5-8H,2,4H2,(H,18,21)(H,19,20,22)
InChIKeyNKZXPTRPRQTSDN-UHFFFAOYSA-N
XLogP3.40
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide (CID 122589321) is N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide is O=C1CCc2cc(-c3csc(NC(=O)c4cncs4)n3)ccc2N1.
What is the InChIKey of N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is NKZXPTRPRQTSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S2/c21-14-4-2-9-5-10(1-3-11(9)18-14)12-7-23-16(19-12)20-15(22)13-6-17-8-24-13/h1,3,5-8H,2,4H2,(H,18,21)(H,19,20,22).
What are the key properties of N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?
N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122589321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).