3-methyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C15H18N4OS — CID 166237151

IUPAC3-methyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(NC(=O)N1Cc2ccccc2CC1C)c1csnn1
InChIInChI=1S/C15H18N4OS/c1-10-7-12-5-3-4-6-13(12)8-19(10)15(20)16-11(2)14-9-21-18-17-14/h3-6,9-11H,7-8H2,1-2H3,(H,16,20)
InChIKeyHSNYZMWFFGZQDT-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.76
Rot. Bonds2

About 3-methyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

3-methyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 166237151) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-methyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID166237151
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name3-methyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(NC(=O)N1Cc2ccccc2CC1C)c1csnn1
InChIInChI=1S/C15H18N4OS/c1-10-7-12-5-3-4-6-13(12)8-19(10)15(20)16-11(2)14-9-21-18-17-14/h3-6,9-11H,7-8H2,1-2H3,(H,16,20)
InChIKeyHSNYZMWFFGZQDT-UHFFFAOYSA-N
XLogP2.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 166237151) is 3-methyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is CC(NC(=O)N1Cc2ccccc2CC1C)c1csnn1.
What is the InChIKey of 3-methyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is HSNYZMWFFGZQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10-7-12-5-3-4-6-13(12)8-19(10)15(20)16-11(2)14-9-21-18-17-14/h3-6,9-11H,7-8H2,1-2H3,(H,16,20).
What are the key properties of 3-methyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
3-methyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(thiadiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 166237151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).