N-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide

C14H11N3OS — CID 110485103

IUPACN-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide
SMILESO=C(NCc1nccs1)c1ccc2cnccc2c1
InChIInChI=1S/C14H11N3OS/c18-14(17-9-13-16-5-6-19-13)11-1-2-12-8-15-4-3-10(12)7-11/h1-8H,9H2,(H,17,18)
InChIKeyPRRJFVQDSCQYTG-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.62
Rot. Bonds3

About N-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide

N-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide (PubChem CID 110485103) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide
PubChem CID110485103
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC NameN-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide
SMILESO=C(NCc1nccs1)c1ccc2cnccc2c1
InChIInChI=1S/C14H11N3OS/c18-14(17-9-13-16-5-6-19-13)11-1-2-12-8-15-4-3-10(12)7-11/h1-8H,9H2,(H,17,18)
InChIKeyPRRJFVQDSCQYTG-UHFFFAOYSA-N
XLogP2.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide
CID 110485084
N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905804
N-ethylisoquinoline-6-carboxamide
CID 110485080
4-(1,3-thiazol-2-ylmethylcarbamoyl)benzoic acid
CID 54962478
4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103872542
4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 60773800
6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 63978404
N-(3-hydroxypropyl)isoquinoline-6-carboxamide
CID 110485097
5-hydroxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 63858732
3-amino-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide
CID 105069243
1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 110485474
4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110445281

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide (CID 110485103) is N-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide is O=C(NCc1nccs1)c1ccc2cnccc2c1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide?
The InChIKey is PRRJFVQDSCQYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c18-14(17-9-13-16-5-6-19-13)11-1-2-12-8-15-4-3-10(12)7-11/h1-8H,9H2,(H,17,18).
What are the key properties of N-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide?
N-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide is sourced from PubChem (CID 110485103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).