N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]hexanamide

C17H21ClN2OS — CID 5221499

IUPACN-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]hexanamide
SMILESCCCCCC(=O)NCc1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C17H21ClN2OS/c1-3-4-5-6-16(21)19-11-15-12(2)20-17(22-15)13-7-9-14(18)10-8-13/h7-10H,3-6,11H2,1-2H3,(H,19,21)
InChIKeyLDTXDZZSXOOMEY-UHFFFAOYSA-N
MW336.89 g/mol
LogP4.97
Rot. Bonds7

About N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]hexanamide

N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]hexanamide (PubChem CID 5221499) has the molecular formula C17H21ClN2OS and a molecular weight of 336.89 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]hexanamide.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]hexanamide
PubChem CID5221499
Molecular FormulaC17H21ClN2OS
Molecular Weight336.89 g/mol
Exact Mass336.11
IUPAC NameN-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]hexanamide
SMILESCCCCCC(=O)NCc1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C17H21ClN2OS/c1-3-4-5-6-16(21)19-11-15-12(2)20-17(22-15)13-7-9-14(18)10-8-13/h7-10H,3-6,11H2,1-2H3,(H,19,21)
InChIKeyLDTXDZZSXOOMEY-UHFFFAOYSA-N
XLogP4.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546287
N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 1477992
2-(4-chlorophenyl)-5-ethyl-4-methyl-1,3-thiazole
CID 58936530
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxyacetamide
CID 7518024
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropanamide
CID 7518028
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 7518001
2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride
CID 119772200
2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide
CID 110329211
2-(4-fluorophenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546282
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexanamide
CID 47151010
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 7517999
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl formate
CID 90369311

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]hexanamide?
The IUPAC name of N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]hexanamide (CID 5221499) is N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]hexanamide.
What is the SMILES notation for N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]hexanamide?
The canonical SMILES for N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]hexanamide is CCCCCC(=O)NCc1sc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]hexanamide?
The InChIKey is LDTXDZZSXOOMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2OS/c1-3-4-5-6-16(21)19-11-15-12(2)20-17(22-15)13-7-9-14(18)10-8-13/h7-10H,3-6,11H2,1-2H3,(H,19,21).
What are the key properties of N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]hexanamide?
N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]hexanamide has a molecular weight of 336.89 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]hexanamide is sourced from PubChem (CID 5221499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).