N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide

C23H15N3OS2 — CID 2313908

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C23H15N3OS2/c27-22(26-23-25-20(14-29-23)15-7-2-1-3-8-15)17-13-19(21-11-6-12-28-21)24-18-10-5-4-9-16(17)18/h1-14H,(H,25,26,27)
InChIKeyMXGHLZQIXMEFAY-UHFFFAOYSA-N
MW413.53 g/mol
LogP6.34
Rot. Bonds4

About N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 2313908) has the molecular formula C23H15N3OS2 and a molecular weight of 413.53 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID2313908
Molecular FormulaC23H15N3OS2
Molecular Weight413.53 g/mol
Exact Mass413.07
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C23H15N3OS2/c27-22(26-23-25-20(14-29-23)15-7-2-1-3-8-15)17-13-19(21-11-6-12-28-21)24-18-10-5-4-9-16(17)18/h1-14H,(H,25,26,27)
InChIKeyMXGHLZQIXMEFAY-UHFFFAOYSA-N
XLogP6.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.53
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 71592345
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
2-(5-methylfuran-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 5086616
2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 16562926
N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 4155163
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 23940632
N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
CID 43070381
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690
2-(5-methylthiophen-2-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3275160
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
2-(5-methylthiophen-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 3400866

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 2313908) is N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is MXGHLZQIXMEFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3OS2/c27-22(26-23-25-20(14-29-23)15-7-2-1-3-8-15)17-13-19(21-11-6-12-28-21)24-18-10-5-4-9-16(17)18/h1-14H,(H,25,26,27).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 413.53 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2313908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).