N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

C18H24N2O2S — CID 46067949

IUPACN-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)COc1ccc(-c2nc(C(=O)N(C)C(C)C)cs2)cc1
InChIInChI=1S/C18H24N2O2S/c1-12(2)10-22-15-8-6-14(7-9-15)17-19-16(11-23-17)18(21)20(5)13(3)4/h6-9,11-13H,10H2,1-5H3
InChIKeyLZQHVIUELGAWPJ-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.33
Rot. Bonds6

About N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 46067949) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID46067949
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)COc1ccc(-c2nc(C(=O)N(C)C(C)C)cs2)cc1
InChIInChI=1S/C18H24N2O2S/c1-12(2)10-22-15-8-6-14(7-9-15)17-19-16(11-23-17)18(21)20(5)13(3)4/h6-9,11-13H,10H2,1-5H3
InChIKeyLZQHVIUELGAWPJ-UHFFFAOYSA-N
XLogP4.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide
CID 82515992
2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067894
2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46066049
2-(3-methoxy-4-propoxyphenyl)-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068006
2-[4-(2-methylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42865899
N-methyl-2-[3-[(3-methylphenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068053
2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 86921719
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24609849
2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde
CID 82516005
2-[3-[(3-fluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068064
2-[2-(2-methoxyethoxy)phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 42867054
N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119584366

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 46067949) is N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)COc1ccc(-c2nc(C(=O)N(C)C(C)C)cs2)cc1.
What is the InChIKey of N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is LZQHVIUELGAWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-12(2)10-22-15-8-6-14(7-9-15)17-19-16(11-23-17)18(21)20(5)13(3)4/h6-9,11-13H,10H2,1-5H3.
What are the key properties of N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46067949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).