N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(methoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide

C21H18ClF3N2O3S — CID 10504572

IUPACN-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(methoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
SMILESCOCN(C(=O)Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1snc(C)c1Cl
InChIInChI=1S/C21H18ClF3N2O3S/c1-13-19(22)20(31-26-13)27(12-29-2)18(28)11-14-3-7-16(8-4-14)30-17-9-5-15(6-10-17)21(23,24)25/h3-10H,11-12H2,1-2H3
InChIKeyCMVYTBLOMZTNCM-UHFFFAOYSA-N
MW470.90 g/mol
LogP6.10
Rot. Bonds7

About N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(methoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide

N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(methoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide (PubChem CID 10504572) has the molecular formula C21H18ClF3N2O3S and a molecular weight of 470.90 g/mol. Its IUPAC name is N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(methoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(methoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
PubChem CID10504572
Molecular FormulaC21H18ClF3N2O3S
Molecular Weight470.90 g/mol
Exact Mass470.07
IUPAC NameN-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(methoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
SMILESCOCN(C(=O)Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1snc(C)c1Cl
InChIInChI=1S/C21H18ClF3N2O3S/c1-13-19(22)20(31-26-13)27(12-29-2)18(28)11-14-3-7-16(8-4-14)30-17-9-5-15(6-10-17)21(23,24)25/h3-10H,11-12H2,1-2H3
InChIKeyCMVYTBLOMZTNCM-UHFFFAOYSA-N
XLogP6.10
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.90
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(ethoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 10743496
2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 23353620
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326
4-chloro-3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide
CID 15008416
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
propan-2-yl N-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]carbamate
CID 15405404
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 63395080
3-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 79202389
N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78858653
N-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79673463
N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55591847

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(methoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide?
The IUPAC name of N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(methoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide (CID 10504572) is N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(methoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide.
What is the SMILES notation for N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(methoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide?
The canonical SMILES for N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(methoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide is COCN(C(=O)Cc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1snc(C)c1Cl.
What is the InChIKey of N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(methoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide?
The InChIKey is CMVYTBLOMZTNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N2O3S/c1-13-19(22)20(31-26-13)27(12-29-2)18(28)11-14-3-7-16(8-4-14)30-17-9-5-15(6-10-17)21(23,24)25/h3-10H,11-12H2,1-2H3.
What are the key properties of N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(methoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide?
N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(methoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide has a molecular weight of 470.90 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-N-(methoxymethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide is sourced from PubChem (CID 10504572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).