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

C21H28N2O2S — CID 155523833

IUPAC(2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCCOc1cc(C)c2c(c1C)C[C@H]([C@@H](C)C(=O)Nc1nccs1)CC2
InChIInChI=1S/C21H28N2O2S/c1-5-9-25-19-11-13(2)17-7-6-16(12-18(17)15(19)4)14(3)20(24)23-21-22-8-10-26-21/h8,10-11,14,16H,5-7,9,12H2,1-4H3,(H,22,23,24)/t14-,16-/m1/s1
InChIKeyPQVPKGFOQMPDCF-GDBMZVCRSA-N
MW372.53 g/mol
LogP4.93
Rot. Bonds6

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

(2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 155523833) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is (2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID155523833
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name(2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCCOc1cc(C)c2c(c1C)C[C@H]([C@@H](C)C(=O)Nc1nccs1)CC2
InChIInChI=1S/C21H28N2O2S/c1-5-9-25-19-11-13(2)17-7-6-16(12-18(17)15(19)4)14(3)20(24)23-21-22-8-10-26-21/h8,10-11,14,16H,5-7,9,12H2,1-4H3,(H,22,23,24)/t14-,16-/m1/s1
InChIKeyPQVPKGFOQMPDCF-GDBMZVCRSA-N
XLogP4.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-N-1,3-thiazol-2-yl-2-naphthamide
CID 604038
2-(2,3-dimethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 888214
2-naphthalen-2-yloxy-N-(1,3-thiazol-2-yl)acetamide
CID 910281
4-(2,3-dimethylphenoxy)-N-1,3-thiazol-2-ylbutanamide
CID 1575135
3-(3,4-dimethoxyphenyl)-N-(thiazol-2-yl)propanamide
CID 2118575
2-(4-ethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2514833
3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 3707305
2-(2,5-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 4944777
2-((3-cyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 3142254
2-(7-(2-(dimethylamino)ethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(thiazol-2-yl)propanamide
CID 3735492
3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 49851580
3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 2163381

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 155523833) is (2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide is CCCOc1cc(C)c2c(c1C)C[C@H]([C@@H](C)C(=O)Nc1nccs1)CC2.
What is the InChIKey of (2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is PQVPKGFOQMPDCF-GDBMZVCRSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-5-9-25-19-11-13(2)17-7-6-16(12-18(17)15(19)4)14(3)20(24)23-21-22-8-10-26-21/h8,10-11,14,16H,5-7,9,12H2,1-4H3,(H,22,23,24)/t14-,16-/m1/s1.
What are the key properties of (2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide?
(2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 372.53 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 155523833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).