N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide

C18H24N2O4S — CID 38961150

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)CCOCC(C)C)n2)c1
InChIInChI=1S/C18H24N2O4S/c1-12(2)10-24-8-7-17(21)20-18-19-15(11-25-18)14-9-13(22-3)5-6-16(14)23-4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,19,20,21)
InChIKeyWCFFWUUCPQQBTC-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.83
Rot. Bonds9

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide (PubChem CID 38961150) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide
PubChem CID38961150
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)CCOCC(C)C)n2)c1
InChIInChI=1S/C18H24N2O4S/c1-12(2)10-24-8-7-17(21)20-18-19-15(11-25-18)14-9-13(22-3)5-6-16(14)23-4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,19,20,21)
InChIKeyWCFFWUUCPQQBTC-UHFFFAOYSA-N
XLogP3.83
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide
CID 8873260
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
3-cyclopentyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 8873226
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 42994672
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2531414
methyl N-[1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 47991752
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16838788
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119679949
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24555291
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 8873123
4-(2,5-dimethoxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8750392

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide (CID 38961150) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide is COc1ccc(OC)c(-c2csc(NC(=O)CCOCC(C)C)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide?
The InChIKey is WCFFWUUCPQQBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-12(2)10-24-8-7-17(21)20-18-19-15(11-25-18)14-9-13(22-3)5-6-16(14)23-4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,19,20,21).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide has a molecular weight of 364.47 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 38961150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).