2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cycloheptyl-N-methylacetamide

C20H25ClN2OS — CID 55668565

IUPAC2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cycloheptyl-N-methylacetamide
SMILESCN(C(=O)Cc1csc(Cc2cccc(Cl)c2)n1)C1CCCCCC1
InChIInChI=1S/C20H25ClN2OS/c1-23(18-9-4-2-3-5-10-18)20(24)13-17-14-25-19(22-17)12-15-7-6-8-16(21)11-15/h6-8,11,14,18H,2-5,9-10,12-13H2,1H3
InChIKeyIDNDGYDDYFIKDA-UHFFFAOYSA-N
MW376.95 g/mol
LogP5.11
Rot. Bonds5

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

2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cycloheptyl-N-methylacetamide (PubChem CID 55668565) has the molecular formula C20H25ClN2OS and a molecular weight of 376.95 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cycloheptyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cycloheptyl-N-methylacetamide
PubChem CID55668565
Molecular FormulaC20H25ClN2OS
Molecular Weight376.95 g/mol
Exact Mass376.14
IUPAC Name2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cycloheptyl-N-methylacetamide
SMILESCN(C(=O)Cc1csc(Cc2cccc(Cl)c2)n1)C1CCCCCC1
InChIInChI=1S/C20H25ClN2OS/c1-23(18-9-4-2-3-5-10-18)20(24)13-17-14-25-19(22-17)12-15-7-6-8-16(21)11-15/h6-8,11,14,18H,2-5,9-10,12-13H2,1H3
InChIKeyIDNDGYDDYFIKDA-UHFFFAOYSA-N
XLogP5.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.95
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzyl-1,3-thiazol-4-yl)-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride
CID 119442266
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
CID 55670377
methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate
CID 112831071
N-cyclohexyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17414302
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 55857637
N-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55514013
N-(4-chloro-2-methylphenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 46427859
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 43069309
N-cyclohexyl-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484514
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 51148007
N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 51191475
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 39081132

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cycloheptyl-N-methylacetamide?
The IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cycloheptyl-N-methylacetamide (CID 55668565) is 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cycloheptyl-N-methylacetamide.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cycloheptyl-N-methylacetamide?
The canonical SMILES for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cycloheptyl-N-methylacetamide is CN(C(=O)Cc1csc(Cc2cccc(Cl)c2)n1)C1CCCCCC1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cycloheptyl-N-methylacetamide?
The InChIKey is IDNDGYDDYFIKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2OS/c1-23(18-9-4-2-3-5-10-18)20(24)13-17-14-25-19(22-17)12-15-7-6-8-16(21)11-15/h6-8,11,14,18H,2-5,9-10,12-13H2,1H3.
What are the key properties of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cycloheptyl-N-methylacetamide?
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cycloheptyl-N-methylacetamide has a molecular weight of 376.95 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cycloheptyl-N-methylacetamide is sourced from PubChem (CID 55668565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).