4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide

C20H27N3O3S — CID 43045174

IUPAC4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(OCc2nc(C)c(C(=O)NCCCN3CCOCC3)s2)cc1
InChIInChI=1S/C20H27N3O3S/c1-15-4-6-17(7-5-15)26-14-18-22-16(2)19(27-18)20(24)21-8-3-9-23-10-12-25-13-11-23/h4-7H,3,8-14H2,1-2H3,(H,21,24)
InChIKeyXWLCNPWEBVKNOW-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.79
Rot. Bonds8

About 4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide

4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 43045174) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID43045174
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(OCc2nc(C)c(C(=O)NCCCN3CCOCC3)s2)cc1
InChIInChI=1S/C20H27N3O3S/c1-15-4-6-17(7-5-15)26-14-18-22-16(2)19(27-18)20(24)21-8-3-9-23-10-12-25-13-11-23/h4-7H,3,8-14H2,1-2H3,(H,21,24)
InChIKeyXWLCNPWEBVKNOW-UHFFFAOYSA-N
XLogP2.79
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.79
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-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 43042198
N-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 50753393
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 17477344
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 46655489
4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387446
6-(4-methoxyphenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861729
2-(4-methoxyphenyl)-4-methyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 30540770
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 46692053
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55546254
N-(3,5-dimethylphenyl)-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 50753382
2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide (CID 43045174) is 4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide is Cc1ccc(OCc2nc(C)c(C(=O)NCCCN3CCOCC3)s2)cc1.
What is the InChIKey of 4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XWLCNPWEBVKNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-15-4-6-17(7-5-15)26-14-18-22-16(2)19(27-18)20(24)21-8-3-9-23-10-12-25-13-11-23/h4-7H,3,8-14H2,1-2H3,(H,21,24).
What are the key properties of 4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 43045174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).