4-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-1,3-thiazole-5-carboxamide

C19H20N4OS — CID 55706633

IUPAC4-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(N2CCCCC2)c2ccncc12
InChIInChI=1S/C19H20N4OS/c1-13-18(25-12-21-13)19(24)22-16-5-6-17(23-9-3-2-4-10-23)14-7-8-20-11-15(14)16/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,24)
InChIKeyCMAGPYIAMPSABF-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.24
Rot. Bonds3

About 4-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-1,3-thiazole-5-carboxamide

4-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-1,3-thiazole-5-carboxamide (PubChem CID 55706633) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-1,3-thiazole-5-carboxamide
PubChem CID55706633
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name4-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(N2CCCCC2)c2ccncc12
InChIInChI=1S/C19H20N4OS/c1-13-18(25-12-21-13)19(24)22-16-5-6-17(23-9-3-2-4-10-23)14-7-8-20-11-15(14)16/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,24)
InChIKeyCMAGPYIAMPSABF-UHFFFAOYSA-N
XLogP4.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-1,3-thiazole-5-carboxamide (CID 55706633) is 4-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(N2CCCCC2)c2ccncc12.
What is the InChIKey of 4-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is CMAGPYIAMPSABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-13-18(25-12-21-13)19(24)22-16-5-6-17(23-9-3-2-4-10-23)14-7-8-20-11-15(14)16/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,24).
What are the key properties of 4-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-piperidin-1-ylisoquinolin-8-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55706633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).