(1S,5R)-8-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide

C20H26N4OS — CID 72899676

IUPAC(1S,5R)-8-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)N3C[C@H]4CC[C@@H](C3)C4N(C)C)c2)cs1
InChIInChI=1S/C20H26N4OS/c1-13-21-18(12-26-13)14-5-4-6-17(9-14)22-20(25)24-10-15-7-8-16(11-24)19(15)23(2)3/h4-6,9,12,15-16,19H,7-8,10-11H2,1-3H3,(H,22,25)/t15-,16+,19?
InChIKeyAIFOKBITJGIMDM-MCPYQZEQSA-N
MW370.52 g/mol
LogP3.92
Rot. Bonds3

About (1S,5R)-8-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide

(1S,5R)-8-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 72899676) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is (1S,5R)-8-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-8-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID72899676
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name(1S,5R)-8-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)N3C[C@H]4CC[C@@H](C3)C4N(C)C)c2)cs1
InChIInChI=1S/C20H26N4OS/c1-13-21-18(12-26-13)14-5-4-6-17(9-14)22-20(25)24-10-15-7-8-16(11-24)19(15)23(2)3/h4-6,9,12,15-16,19H,7-8,10-11H2,1-3H3,(H,22,25)/t15-,16+,19?
InChIKeyAIFOKBITJGIMDM-MCPYQZEQSA-N
XLogP3.92
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,5R)-8-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of (1S,5R)-8-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide (CID 72899676) is (1S,5R)-8-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for (1S,5R)-8-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for (1S,5R)-8-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide is Cc1nc(-c2cccc(NC(=O)N3C[C@H]4CC[C@@H](C3)C4N(C)C)c2)cs1.
What is the InChIKey of (1S,5R)-8-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is AIFOKBITJGIMDM-MCPYQZEQSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-13-21-18(12-26-13)14-5-4-6-17(9-14)22-20(25)24-10-15-7-8-16(11-24)19(15)23(2)3/h4-6,9,12,15-16,19H,7-8,10-11H2,1-3H3,(H,22,25)/t15-,16+,19?.
What are the key properties of (1S,5R)-8-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide?
(1S,5R)-8-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 72899676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).