N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C16H17N3OS — CID 4040678

IUPACN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NN=C2CCCc3ccccc32)cs1
InChIInChI=1S/C16H17N3OS/c1-11-17-13(10-21-11)9-16(20)19-18-15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,10H,4,6,8-9H2,1H3,(H,19,20)
InChIKeyGMPHEZGDZGRZKY-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.85
Rot. Bonds3

About N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 4040678) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID4040678
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NN=C2CCCc3ccccc32)cs1
InChIInChI=1S/C16H17N3OS/c1-11-17-13(10-21-11)9-16(20)19-18-15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,10H,4,6,8-9H2,1H3,(H,19,20)
InChIKeyGMPHEZGDZGRZKY-UHFFFAOYSA-N
XLogP2.85
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4856859
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]acetamide
CID 3422858
N-(2,3-dihydro-1H-inden-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70770672
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]octanamide
CID 6297520
N-[(E)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463762
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide
CID 27493701
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylphenyl)acetamide
CID 29454554
2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 9463968
2-[2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81311652
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463828
N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463729
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4827990

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 4040678) is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NN=C2CCCc3ccccc32)cs1.
What is the InChIKey of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is GMPHEZGDZGRZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-17-13(10-21-11)9-16(20)19-18-15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,10H,4,6,8-9H2,1H3,(H,19,20).
What are the key properties of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 299.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 4040678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).