2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-4-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

C24H24ClN3O3S — CID 46565894

IUPAC2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-4-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1ccc(CN(C(=O)c2sc(COc3ccc(Cl)cc3)nc2C)C2CC2)cc1
InChIInChI=1S/C24H24ClN3O3S/c1-15-22(32-21(27-15)14-31-20-11-7-18(25)8-12-20)24(30)28(19-9-10-19)13-16-3-5-17(6-4-16)23(29)26-2/h3-8,11-12,19H,9-10,13-14H2,1-2H3,(H,26,29)
InChIKeyXOIQJKDMJBXDHI-UHFFFAOYSA-N
MW469.99 g/mol
LogP4.85
Rot. Bonds8

About 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-4-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-4-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 46565894) has the molecular formula C24H24ClN3O3S and a molecular weight of 469.99 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-4-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-4-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID46565894
Molecular FormulaC24H24ClN3O3S
Molecular Weight469.99 g/mol
Exact Mass469.12
IUPAC Name2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-4-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1ccc(CN(C(=O)c2sc(COc3ccc(Cl)cc3)nc2C)C2CC2)cc1
InChIInChI=1S/C24H24ClN3O3S/c1-15-22(32-21(27-15)14-31-20-11-7-18(25)8-12-20)24(30)28(19-9-10-19)13-16-3-5-17(6-4-16)23(29)26-2/h3-8,11-12,19H,9-10,13-14H2,1-2H3,(H,26,29)
InChIKeyXOIQJKDMJBXDHI-UHFFFAOYSA-N
XLogP4.85
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.99
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-4-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55546254
2-[(4-chlorophenoxy)methyl]-N,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 155946449
2-[(4-chlorophenoxy)methyl]-4-methyl-N,N-di(propan-2-yl)-1,3-thiazole-5-carboxamide
CID 56530490
2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119532088
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
N-butyl-2-[(4-chlorophenoxy)methyl]-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 75866838
3-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119232739
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936066
N-cyclopropyl-5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33351813
3-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]-ethylamino]propanoic acid
CID 119191212
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 51962865
4-[[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-cyclopropylamino]methyl]-N-methylbenzamide
CID 34181015

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-4-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-4-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 46565894) is 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-4-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-4-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-4-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is CNC(=O)c1ccc(CN(C(=O)c2sc(COc3ccc(Cl)cc3)nc2C)C2CC2)cc1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-4-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is XOIQJKDMJBXDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3S/c1-15-22(32-21(27-15)14-31-20-11-7-18(25)8-12-20)24(30)28(19-9-10-19)13-16-3-5-17(6-4-16)23(29)26-2/h3-8,11-12,19H,9-10,13-14H2,1-2H3,(H,26,29).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-4-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-4-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 469.99 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-4-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46565894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).