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

C19H14ClF3N2OS — CID 2446278

IUPACN-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1sc(NC(=O)Cc2cccc(C(F)(F)F)c2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C19H14ClF3N2OS/c1-11-17(13-5-3-7-15(20)10-13)25-18(27-11)24-16(26)9-12-4-2-6-14(8-12)19(21,22)23/h2-8,10H,9H2,1H3,(H,24,25,26)
InChIKeyQQSTVDDLYYVRTE-UHFFFAOYSA-N
MW410.85 g/mol
LogP5.97
Rot. Bonds4

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

N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2446278) has the molecular formula C19H14ClF3N2OS and a molecular weight of 410.85 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2446278
Molecular FormulaC19H14ClF3N2OS
Molecular Weight410.85 g/mol
Exact Mass410.05
IUPAC NameN-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1sc(NC(=O)Cc2cccc(C(F)(F)F)c2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C19H14ClF3N2OS/c1-11-17(13-5-3-7-15(20)10-13)25-18(27-11)24-16(26)9-12-4-2-6-14(8-12)19(21,22)23/h2-8,10H,9H2,1H3,(H,24,25,26)
InChIKeyQQSTVDDLYYVRTE-UHFFFAOYSA-N
XLogP5.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.85
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 982683
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CID 53352108
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CID 77106663
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CID 87085264
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CID 1312422
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CID 2814437
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CID 16745787
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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 2446278) is N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is Cc1sc(NC(=O)Cc2cccc(C(F)(F)F)c2)nc1-c1cccc(Cl)c1.
What is the InChIKey of N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QQSTVDDLYYVRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2OS/c1-11-17(13-5-3-7-15(20)10-13)25-18(27-11)24-16(26)9-12-4-2-6-14(8-12)19(21,22)23/h2-8,10H,9H2,1H3,(H,24,25,26).
What are the key properties of N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 410.85 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2446278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).