(2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C22H30N2O2S — CID 23651410

IUPAC(2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)Nc1ncc(C)s1)CC2
InChIInChI=1S/C22H30N2O2S/c1-6-9-26-20-10-13(2)18-8-7-17(11-19(18)16(20)5)15(4)21(25)24-22-23-12-14(3)27-22/h10,12,15,17H,6-9,11H2,1-5H3,(H,23,24,25)/t15-,17+/m0/s1
InChIKeyMMECFPFTPZOQEU-DOTOQJQBSA-N
MW386.56 g/mol
LogP5.24
Rot. Bonds6

About (2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide

(2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 23651410) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is (2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID23651410
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name(2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)Nc1ncc(C)s1)CC2
InChIInChI=1S/C22H30N2O2S/c1-6-9-26-20-10-13(2)18-8-7-17(11-19(18)16(20)5)15(4)21(25)24-22-23-12-14(3)27-22/h10,12,15,17H,6-9,11H2,1-5H3,(H,23,24,25)/t15-,17+/m0/s1
InChIKeyMMECFPFTPZOQEU-DOTOQJQBSA-N
XLogP5.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.56
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 7135426
2-[[7-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 3704249
(2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 26763381
(2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 26763396
(2S)-N-tert-butyl-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 7135357
(2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 7018317
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one
CID 134787221
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 45148025
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578
(2R)-2-methylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 94024935
4-(4-chloro-3-methylphenoxy)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 155518985
(2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2548322

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 23651410) is (2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide is CCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)Nc1ncc(C)s1)CC2.
What is the InChIKey of (2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is MMECFPFTPZOQEU-DOTOQJQBSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-6-9-26-20-10-13(2)18-8-7-17(11-19(18)16(20)5)15(4)21(25)24-22-23-12-14(3)27-22/h10,12,15,17H,6-9,11H2,1-5H3,(H,23,24,25)/t15-,17+/m0/s1.
What are the key properties of (2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
(2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 386.56 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 23651410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).