N-methyl-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C18H22N2OS2 — CID 42942879

IUPACN-methyl-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCSc1nc(C)c(CC(=O)N(C)C2CCCc3ccccc32)s1
InChIInChI=1S/C18H22N2OS2/c1-12-16(23-18(19-12)22-3)11-17(21)20(2)15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15H,6,8,10-11H2,1-3H3
InChIKeyYQEZTCAUNIZFLU-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.25
Rot. Bonds4

About N-methyl-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

N-methyl-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 42942879) has the molecular formula C18H22N2OS2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID42942879
Molecular FormulaC18H22N2OS2
Molecular Weight346.52 g/mol
Exact Mass346.12
IUPAC NameN-methyl-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCSc1nc(C)c(CC(=O)N(C)C2CCCc3ccccc32)s1
InChIInChI=1S/C18H22N2OS2/c1-12-16(23-18(19-12)22-3)11-17(21)20(2)15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15H,6,8,10-11H2,1-3H3
InChIKeyYQEZTCAUNIZFLU-UHFFFAOYSA-N
XLogP4.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 39709988
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8852681
N-methyl-2-pyridin-3-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 96575672
2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 71898763
3-methyl-5-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-5-oxopentanoic acid
CID 62966289
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 47147849
2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55547186
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51190736
N-cyclopropyl-2-[methyl-[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 8910380
2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9348085
3-(ethylamino)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 3064453
2-(2-methoxyethoxy)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 103601646

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of N-methyl-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 42942879) is N-methyl-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-methyl-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for N-methyl-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CSc1nc(C)c(CC(=O)N(C)C2CCCc3ccccc32)s1.
What is the InChIKey of N-methyl-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is YQEZTCAUNIZFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS2/c1-12-16(23-18(19-12)22-3)11-17(21)20(2)15-10-6-8-13-7-4-5-9-14(13)15/h4-5,7,9,15H,6,8,10-11H2,1-3H3.
What are the key properties of N-methyl-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
N-methyl-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 346.52 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 42942879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).