1-amino-N,N,5-triethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide

C18H25N3OS — CID 770116

IUPAC1-amino-N,N,5-triethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESCCc1nc2sc(C(=O)N(CC)CC)c(N)c2c2c1CCCC2
InChIInChI=1S/C18H25N3OS/c1-4-13-11-9-7-8-10-12(11)14-15(19)16(23-17(14)20-13)18(22)21(5-2)6-3/h4-10,19H2,1-3H3
InChIKeyPDAZLHLBPNHONI-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.80
Rot. Bonds4

About 1-amino-N,N,5-triethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide

1-amino-N,N,5-triethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (PubChem CID 770116) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 1-amino-N,N,5-triethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1-amino-N,N,5-triethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
PubChem CID770116
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name1-amino-N,N,5-triethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
SMILESCCc1nc2sc(C(=O)N(CC)CC)c(N)c2c2c1CCCC2
InChIInChI=1S/C18H25N3OS/c1-4-13-11-9-7-8-10-12(11)14-15(19)16(23-17(14)20-13)18(22)21(5-2)6-3/h4-10,19H2,1-3H3
InChIKeyPDAZLHLBPNHONI-UHFFFAOYSA-N
XLogP3.80
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N,N,5-triethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The IUPAC name of 1-amino-N,N,5-triethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide (CID 770116) is 1-amino-N,N,5-triethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide.
What is the SMILES notation for 1-amino-N,N,5-triethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The canonical SMILES for 1-amino-N,N,5-triethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is CCc1nc2sc(C(=O)N(CC)CC)c(N)c2c2c1CCCC2.
What is the InChIKey of 1-amino-N,N,5-triethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
The InChIKey is PDAZLHLBPNHONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-4-13-11-9-7-8-10-12(11)14-15(19)16(23-17(14)20-13)18(22)21(5-2)6-3/h4-10,19H2,1-3H3.
What are the key properties of 1-amino-N,N,5-triethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide?
1-amino-N,N,5-triethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide has a molecular weight of 331.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N,N,5-triethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide is sourced from PubChem (CID 770116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).