N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C17H20N2OS2 — CID 8852681

IUPACN-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1csc(SCC(=O)N(C)[C@H]2CCCc3ccccc32)n1
InChIInChI=1S/C17H20N2OS2/c1-12-10-21-17(18-12)22-11-16(20)19(2)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,10,15H,5,7,9,11H2,1-2H3/t15-/m0/s1
InChIKeySRHGABBBXVYLQI-HNNXBMFYSA-N
MW332.49 g/mol
LogP4.08
Rot. Bonds4

About N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 8852681) has the molecular formula C17H20N2OS2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID8852681
Molecular FormulaC17H20N2OS2
Molecular Weight332.49 g/mol
Exact Mass332.10
IUPAC NameN-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1csc(SCC(=O)N(C)[C@H]2CCCc3ccccc32)n1
InChIInChI=1S/C17H20N2OS2/c1-12-10-21-17(18-12)22-11-16(20)19(2)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,10,15H,5,7,9,11H2,1-2H3/t15-/m0/s1
InChIKeySRHGABBBXVYLQI-HNNXBMFYSA-N
XLogP4.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51190736
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 47048720
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 94119006
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 39709988
2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 71898763
N-methyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51280562
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
N-methyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51183728
N-methyl-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 42942879
2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9456069
2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 134034430
N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8686002

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 8852681) is N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1csc(SCC(=O)N(C)[C@H]2CCCc3ccccc32)n1.
What is the InChIKey of N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is SRHGABBBXVYLQI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2OS2/c1-12-10-21-17(18-12)22-11-16(20)19(2)15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,10,15H,5,7,9,11H2,1-2H3/t15-/m0/s1.
What are the key properties of N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 332.49 g/mol, XLogP of 4.08, 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-1,3-thiazol-2-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 8852681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).