N-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

C20H23F3N2OS — CID 55514013

IUPACN-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCN(C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C1CCCCCC1
InChIInChI=1S/C20H23F3N2OS/c1-25(17-6-4-2-3-5-7-17)18(26)12-16-13-27-19(24-16)14-8-10-15(11-9-14)20(21,22)23/h8-11,13,17H,2-7,12H2,1H3
InChIKeyROVJJZSJBCPOOP-UHFFFAOYSA-N
MW396.48 g/mol
LogP5.55
Rot. Bonds4

About N-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

N-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 55514013) has the molecular formula C20H23F3N2OS and a molecular weight of 396.48 g/mol. Its IUPAC name is N-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
PubChem CID55514013
Molecular FormulaC20H23F3N2OS
Molecular Weight396.48 g/mol
Exact Mass396.15
IUPAC NameN-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCN(C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C1CCCCCC1
InChIInChI=1S/C20H23F3N2OS/c1-25(17-6-4-2-3-5-7-17)18(26)12-16-13-27-19(24-16)14-8-10-15(11-9-14)20(21,22)23/h8-11,13,17H,2-7,12H2,1H3
InChIKeyROVJJZSJBCPOOP-UHFFFAOYSA-N
XLogP5.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17414302
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 51148007
N-cyclohexyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31700368
N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 39080906
N-(2-methylcyclohexyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 46516478
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 39081132
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
N-propan-2-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152022
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 55583411
N-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 43054605
2-cyclopropyl-2-methyl-4-oxo-5-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]pentanoic acid
CID 162238967
N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 51191475

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (CID 55514013) is N-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is CN(C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is ROVJJZSJBCPOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2OS/c1-25(17-6-4-2-3-5-7-17)18(26)12-16-13-27-19(24-16)14-8-10-15(11-9-14)20(21,22)23/h8-11,13,17H,2-7,12H2,1H3.
What are the key properties of N-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
N-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 396.48 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55514013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).