1-[3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazol-4-yl]ethanone

C16H18N2OS — CID 79364230

IUPAC1-[3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NC1CCCc2ccccc21
InChIInChI=1S/C16H18N2OS/c1-10-15(11(2)19)16(20-18-10)17-14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14,17H,5,7,9H2,1-2H3
InChIKeyCLCVVQJZZGFLSQ-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.14
Rot. Bonds3

About 1-[3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazol-4-yl]ethanone

1-[3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazol-4-yl]ethanone (PubChem CID 79364230) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazol-4-yl]ethanone
PubChem CID79364230
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1-[3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NC1CCCc2ccccc21
InChIInChI=1S/C16H18N2OS/c1-10-15(11(2)19)16(20-18-10)17-14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14,17H,5,7,9H2,1-2H3
InChIKeyCLCVVQJZZGFLSQ-UHFFFAOYSA-N
XLogP4.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazol-4-yl]ethanone with MolForge

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Related Compounds

methyl 3-amino-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylate
CID 103379935
4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine
CID 103379933
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carboxylic acid
CID 107553354
1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 45148404
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid
CID 43652089
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 2123116
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine
CID 65276359
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 78988055
5-bromo-3,6-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine
CID 22147500
(2S,3R)-3-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 104966185
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 11149532

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazol-4-yl]ethanone (CID 79364230) is 1-[3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NC1CCCc2ccccc21.
What is the InChIKey of 1-[3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazol-4-yl]ethanone?
The InChIKey is CLCVVQJZZGFLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-10-15(11(2)19)16(20-18-10)17-14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14,17H,5,7,9H2,1-2H3.
What are the key properties of 1-[3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazol-4-yl]ethanone?
1-[3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazol-4-yl]ethanone has a molecular weight of 286.40 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79364230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).