2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide

C20H17N3OS2 — CID 16562926

IUPAC2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2nc(-c3cccs3)cs2)c2ccccc2n1
InChIInChI=1S/C20H17N3OS2/c1-12(2)16-10-14(13-6-3-4-7-15(13)21-16)19(24)23-20-22-17(11-26-20)18-8-5-9-25-18/h3-12H,1-2H3,(H,22,23,24)
InChIKeyQLSABMCIKPVVIO-UHFFFAOYSA-N
MW379.51 g/mol
LogP5.80
Rot. Bonds4

About 2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide

2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 16562926) has the molecular formula C20H17N3OS2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID16562926
Molecular FormulaC20H17N3OS2
Molecular Weight379.51 g/mol
Exact Mass379.08
IUPAC Name2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2nc(-c3cccs3)cs2)c2ccccc2n1
InChIInChI=1S/C20H17N3OS2/c1-12(2)16-10-14(13-6-3-4-7-15(13)21-16)19(24)23-20-22-17(11-26-20)18-8-5-9-25-18/h3-12H,1-2H3,(H,22,23,24)
InChIKeyQLSABMCIKPVVIO-UHFFFAOYSA-N
XLogP5.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 71592345
2-(5-methylfuran-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 5086616
7-fluoro-2-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 46686353
N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 4155163
2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4200224
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261855
N-[4-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
CID 43070381
2-(5-methylthiophen-2-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3275160
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 39804997

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 16562926) is 2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide is CC(C)c1cc(C(=O)Nc2nc(-c3cccs3)cs2)c2ccccc2n1.
What is the InChIKey of 2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is QLSABMCIKPVVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS2/c1-12(2)16-10-14(13-6-3-4-7-15(13)21-16)19(24)23-20-22-17(11-26-20)18-8-5-9-25-18/h3-12H,1-2H3,(H,22,23,24).
What are the key properties of 2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 16562926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).