N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide

C18H17N3O2S — CID 168925799

IUPACN-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide
SMILESO=C(Nc1ncc(-c2ccc3cnccc3c2)s1)C1CCOCC1
InChIInChI=1S/C18H17N3O2S/c22-17(12-4-7-23-8-5-12)21-18-20-11-16(24-18)14-1-2-15-10-19-6-3-13(15)9-14/h1-3,6,9-12H,4-5,7-8H2,(H,20,21,22)
InChIKeyMXHNFZGCPIHBAO-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.72
Rot. Bonds3

About N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide

N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide (PubChem CID 168925799) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide
PubChem CID168925799
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide
SMILESO=C(Nc1ncc(-c2ccc3cnccc3c2)s1)C1CCOCC1
InChIInChI=1S/C18H17N3O2S/c22-17(12-4-7-23-8-5-12)21-18-20-11-16(24-18)14-1-2-15-10-19-6-3-13(15)9-14/h1-3,6,9-12H,4-5,7-8H2,(H,20,21,22)
InChIKeyMXHNFZGCPIHBAO-UHFFFAOYSA-N
XLogP3.72
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
CID 168925845
(3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 168925210
N-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 168925758
N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 168925353
N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]thiane-4-carboxamide
CID 176646521
1-methyl-N-[5-(1,7-naphthyridin-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 168925803
N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide
CID 176646504
N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]-1,1-dioxothiane-4-carboxamide
CID 168925382
N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
(1R,5S)-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide
CID 154871747
N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405192
N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 51081209

Frequently Asked Questions

What is the IUPAC name of N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide?
The IUPAC name of N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide (CID 168925799) is N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide?
The canonical SMILES for N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide is O=C(Nc1ncc(-c2ccc3cnccc3c2)s1)C1CCOCC1.
What is the InChIKey of N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide?
The InChIKey is MXHNFZGCPIHBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-17(12-4-7-23-8-5-12)21-18-20-11-16(24-18)14-1-2-15-10-19-6-3-13(15)9-14/h1-3,6,9-12H,4-5,7-8H2,(H,20,21,22).
What are the key properties of N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide?
N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 168925799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).