N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide

C19H19N5OS — CID 26327537

IUPACN-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1cccnc1N1CCc2ccccc2C1
InChIInChI=1S/C19H19N5OS/c1-13-17(26-23-22-13)19(25)21-11-15-7-4-9-20-18(15)24-10-8-14-5-2-3-6-16(14)12-24/h2-7,9H,8,10-12H2,1H3,(H,21,25)
InChIKeyRLSRSQZDVQTVJI-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.73
Rot. Bonds4

About N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide

N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 26327537) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide
PubChem CID26327537
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC NameN-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1cccnc1N1CCc2ccccc2C1
InChIInChI=1S/C19H19N5OS/c1-13-17(26-23-22-13)19(25)21-11-15-7-4-9-20-18(15)24-10-8-14-5-2-3-6-16(14)12-24/h2-7,9H,8,10-12H2,1H3,(H,21,25)
InChIKeyRLSRSQZDVQTVJI-UHFFFAOYSA-N
XLogP2.73
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide (CID 26327537) is N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCc1cccnc1N1CCc2ccccc2C1.
What is the InChIKey of N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is RLSRSQZDVQTVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-13-17(26-23-22-13)19(25)21-11-15-7-4-9-20-18(15)24-10-8-14-5-2-3-6-16(14)12-24/h2-7,9H,8,10-12H2,1H3,(H,21,25).
What are the key properties of N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide?
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 26327537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).