N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide

C19H22N2O2S — CID 166423832

IUPACN-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1sncc1C)C1CCCc2cc(OC)ccc21
InChIInChI=1S/C19H22N2O2S/c1-4-19(22)21(12-18-13(2)11-20-24-18)17-7-5-6-14-10-15(23-3)8-9-16(14)17/h4,8-11,17H,1,5-7,12H2,2-3H3
InChIKeyLMSZULRBNDJWOC-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.05
Rot. Bonds5

About N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide

N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide (PubChem CID 166423832) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide
PubChem CID166423832
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1sncc1C)C1CCCc2cc(OC)ccc21
InChIInChI=1S/C19H22N2O2S/c1-4-19(22)21(12-18-13(2)11-20-24-18)17-7-5-6-14-10-15(23-3)8-9-16(14)17/h4,8-11,17H,1,5-7,12H2,2-3H3
InChIKeyLMSZULRBNDJWOC-UHFFFAOYSA-N
XLogP4.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-prop-2-enylamino]acetic acid
CID 79286200
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-prop-2-ynylamino]acetic acid
CID 79287526
methyl 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoate
CID 60782387
N-methoxy-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 97314076
N,N-diethyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
CID 115712646
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
6-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 120905588
[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate
CID 90842495
6-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115732237
2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 94661738
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
ethyl 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 61498112

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide?
The IUPAC name of N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide (CID 166423832) is N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide?
The canonical SMILES for N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide is C=CC(=O)N(Cc1sncc1C)C1CCCc2cc(OC)ccc21.
What is the InChIKey of N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide?
The InChIKey is LMSZULRBNDJWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-4-19(22)21(12-18-13(2)11-20-24-18)17-7-5-6-14-10-15(23-3)8-9-16(14)17/h4,8-11,17H,1,5-7,12H2,2-3H3.
What are the key properties of N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide?
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide has a molecular weight of 342.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-[(4-methyl-1,2-thiazol-5-yl)methyl]prop-2-enamide is sourced from PubChem (CID 166423832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).