2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(1,3-thiazol-2-yl)propanamide

C21H28N2O2S — CID 3861394

IUPAC2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCCCOc1cc(C)c2c(c1C)CC(C(C)C(=O)Nc1nccs1)CC2
InChIInChI=1S/C21H28N2O2S/c1-5-9-25-19-11-13(2)17-7-6-16(12-18(17)15(19)4)14(3)20(24)23-21-22-8-10-26-21/h8,10-11,14,16H,5-7,9,12H2,1-4H3,(H,22,23,24)
InChIKeyPQVPKGFOQMPDCF-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.93
Rot. Bonds6

About 2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(1,3-thiazol-2-yl)propanamide

2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 3861394) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID3861394
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCCCOc1cc(C)c2c(c1C)CC(C(C)C(=O)Nc1nccs1)CC2
InChIInChI=1S/C21H28N2O2S/c1-5-9-25-19-11-13(2)17-7-6-16(12-18(17)15(19)4)14(3)20(24)23-21-22-8-10-26-21/h8,10-11,14,16H,5-7,9,12H2,1-4H3,(H,22,23,24)
InChIKeyPQVPKGFOQMPDCF-UHFFFAOYSA-N
XLogP4.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 3861394) is 2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(1,3-thiazol-2-yl)propanamide is CCCOc1cc(C)c2c(c1C)CC(C(C)C(=O)Nc1nccs1)CC2.
What is the InChIKey of 2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is PQVPKGFOQMPDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-5-9-25-19-11-13(2)17-7-6-16(12-18(17)15(19)4)14(3)20(24)23-21-22-8-10-26-21/h8,10-11,14,16H,5-7,9,12H2,1-4H3,(H,22,23,24).
What are the key properties of 2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 372.53 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3861394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).