N-quinolin-6-yl-1,3-thiazole-4-carboxamide

C13H9N3OS — CID 63047708

IUPACN-quinolin-6-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)c1cscn1
InChIInChI=1S/C13H9N3OS/c17-13(12-7-18-8-15-12)16-10-3-4-11-9(6-10)2-1-5-14-11/h1-8H,(H,16,17)
InChIKeyXSMGUAYTHIILEJ-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.94
Rot. Bonds2

About N-quinolin-6-yl-1,3-thiazole-4-carboxamide

N-quinolin-6-yl-1,3-thiazole-4-carboxamide (PubChem CID 63047708) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is N-quinolin-6-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-quinolin-6-yl-1,3-thiazole-4-carboxamide
PubChem CID63047708
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC NameN-quinolin-6-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)c1cscn1
InChIInChI=1S/C13H9N3OS/c17-13(12-7-18-8-15-12)16-10-3-4-11-9(6-10)2-1-5-14-11/h1-8H,(H,16,17)
InChIKeyXSMGUAYTHIILEJ-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-quinolin-6-ylbenzamide
CID 833617
2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 66378461
5-chloro-N-quinolin-6-ylpyrazine-2-carboxamide
CID 103803742
2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697056
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
CID 63050132
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
2-chloro-N-quinolin-6-ylacetamide
CID 3144388
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
3,5-dibromo-N-quinolin-6-ylbenzamide
CID 107980427
3-chloro-N-quinolin-6-ylpyridine-4-carboxamide
CID 66484536
N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879

Frequently Asked Questions

What is the IUPAC name of N-quinolin-6-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-quinolin-6-yl-1,3-thiazole-4-carboxamide (CID 63047708) is N-quinolin-6-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-quinolin-6-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-quinolin-6-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc2ncccc2c1)c1cscn1.
What is the InChIKey of N-quinolin-6-yl-1,3-thiazole-4-carboxamide?
The InChIKey is XSMGUAYTHIILEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS/c17-13(12-7-18-8-15-12)16-10-3-4-11-9(6-10)2-1-5-14-11/h1-8H,(H,16,17).
What are the key properties of N-quinolin-6-yl-1,3-thiazole-4-carboxamide?
N-quinolin-6-yl-1,3-thiazole-4-carboxamide has a molecular weight of 255.30 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-6-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63047708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).