(2-methoxyphenyl)-(2-pentyl-1,3-thiazol-4-yl)methanone

C16H19NO2S — CID 66780236

IUPAC(2-methoxyphenyl)-(2-pentyl-1,3-thiazol-4-yl)methanone
SMILESCCCCCc1nc(C(=O)c2ccccc2OC)cs1
InChIInChI=1S/C16H19NO2S/c1-3-4-5-10-15-17-13(11-20-15)16(18)12-8-6-7-9-14(12)19-2/h6-9,11H,3-5,10H2,1-2H3
InChIKeyYTZQQNYPKALZPP-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.12
Rot. Bonds7

About (2-methoxyphenyl)-(2-pentyl-1,3-thiazol-4-yl)methanone

(2-methoxyphenyl)-(2-pentyl-1,3-thiazol-4-yl)methanone (PubChem CID 66780236) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is (2-methoxyphenyl)-(2-pentyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-(2-pentyl-1,3-thiazol-4-yl)methanone
PubChem CID66780236
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name(2-methoxyphenyl)-(2-pentyl-1,3-thiazol-4-yl)methanone
SMILESCCCCCc1nc(C(=O)c2ccccc2OC)cs1
InChIInChI=1S/C16H19NO2S/c1-3-4-5-10-15-17-13(11-20-15)16(18)12-8-6-7-9-14(12)19-2/h6-9,11H,3-5,10H2,1-2H3
InChIKeyYTZQQNYPKALZPP-UHFFFAOYSA-N
XLogP4.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone
CID 116585367
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-propan-2-yloxyphenyl)methanone
CID 116585385
(2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 82131144
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116585581
2-[3-(2-ethoxyphenoxy)propyl]-1,3-thiazole-4-carboxylic acid
CID 94760687
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 116585116
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116585293
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
1-(2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 55023762
N-[(2-methoxyphenyl)methyl]-2-[(4-methylnonanoylamino)methyl]-1,3-thiazole-4-carboxamide
CID 91476171
methyl 2-[[(2-methoxybenzoyl)-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate
CID 810933

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(2-pentyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (2-methoxyphenyl)-(2-pentyl-1,3-thiazol-4-yl)methanone (CID 66780236) is (2-methoxyphenyl)-(2-pentyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (2-methoxyphenyl)-(2-pentyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (2-methoxyphenyl)-(2-pentyl-1,3-thiazol-4-yl)methanone is CCCCCc1nc(C(=O)c2ccccc2OC)cs1.
What is the InChIKey of (2-methoxyphenyl)-(2-pentyl-1,3-thiazol-4-yl)methanone?
The InChIKey is YTZQQNYPKALZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-4-5-10-15-17-13(11-20-15)16(18)12-8-6-7-9-14(12)19-2/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-(2-pentyl-1,3-thiazol-4-yl)methanone?
(2-methoxyphenyl)-(2-pentyl-1,3-thiazol-4-yl)methanone has a molecular weight of 289.40 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(2-pentyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 66780236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).