2-[7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide

C22H31N3O2S — CID 3735492

IUPAC2-[7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(OCCN(C)C)c(C)c2c1CCC(C(C)C(=O)Nc1nccs1)C2
InChIInChI=1S/C22H31N3O2S/c1-14-12-20(27-10-9-25(4)5)16(3)19-13-17(6-7-18(14)19)15(2)21(26)24-22-23-8-11-28-22/h8,11-12,15,17H,6-7,9-10,13H2,1-5H3,(H,23,24,26)
InChIKeyZFUJXRWIEDOTHM-UHFFFAOYSA-N
MW401.58 g/mol
LogP4.08
Rot. Bonds7

About 2-[7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide

2-[7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 3735492) has the molecular formula C22H31N3O2S and a molecular weight of 401.58 g/mol. Its IUPAC name is 2-[7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID3735492
Molecular FormulaC22H31N3O2S
Molecular Weight401.58 g/mol
Exact Mass401.21
IUPAC Name2-[7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(OCCN(C)C)c(C)c2c1CCC(C(C)C(=O)Nc1nccs1)C2
InChIInChI=1S/C22H31N3O2S/c1-14-12-20(27-10-9-25(4)5)16(3)19-13-17(6-7-18(14)19)15(2)21(26)24-22-23-8-11-28-22/h8,11-12,15,17H,6-7,9-10,13H2,1-5H3,(H,23,24,26)
InChIKeyZFUJXRWIEDOTHM-UHFFFAOYSA-N
XLogP4.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 3735492) is 2-[7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide is Cc1cc(OCCN(C)C)c(C)c2c1CCC(C(C)C(=O)Nc1nccs1)C2.
What is the InChIKey of 2-[7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is ZFUJXRWIEDOTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2S/c1-14-12-20(27-10-9-25(4)5)16(3)19-13-17(6-7-18(14)19)15(2)21(26)24-22-23-8-11-28-22/h8,11-12,15,17H,6-7,9-10,13H2,1-5H3,(H,23,24,26).
What are the key properties of 2-[7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide?
2-[7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 401.58 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3735492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).