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

C17H20N2OS — CID 39709988

IUPACN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1nc(CC(=O)N(C)[C@H]2CCCc3ccccc32)cs1
InChIInChI=1S/C17H20N2OS/c1-12-18-14(11-21-12)10-17(20)19(2)16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,11,16H,5,7,9-10H2,1-2H3/t16-/m0/s1
InChIKeyNISUYYSDZWQLLR-INIZCTEOSA-N
MW300.43 g/mol
LogP3.53
Rot. Bonds3

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

N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 39709988) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID39709988
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1nc(CC(=O)N(C)[C@H]2CCCc3ccccc32)cs1
InChIInChI=1S/C17H20N2OS/c1-12-18-14(11-21-12)10-17(20)19(2)16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,11,16H,5,7,9-10H2,1-2H3/t16-/m0/s1
InChIKeyNISUYYSDZWQLLR-INIZCTEOSA-N
XLogP3.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 47147849
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 34804771
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-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 42942879
N-methyl-2-pyridin-3-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 96575672
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
2-(tert-butylamino)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 112724240
2-(2-methoxyethoxy)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 103601646
3-(ethylamino)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 3064453
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43183561
4-hydroxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 79200379

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 39709988) is N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1nc(CC(=O)N(C)[C@H]2CCCc3ccccc32)cs1.
What is the InChIKey of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is NISUYYSDZWQLLR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-18-14(11-21-12)10-17(20)19(2)16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,11,16H,5,7,9-10H2,1-2H3/t16-/m0/s1.
What are the key properties of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 300.43 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 39709988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).