N,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

C18H15F3N2OS2 — CID 134047298

IUPACN,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)N(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C18H15F3N2OS2/c1-11-15(26-16(22-11)14-8-5-9-25-14)17(24)23(2)10-12-6-3-4-7-13(12)18(19,20)21/h3-9H,10H2,1-2H3
InChIKeyNADIGRDIAMBLCX-UHFFFAOYSA-N
MW396.46 g/mol
LogP5.47
Rot. Bonds4

About N,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

N,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 134047298) has the molecular formula C18H15F3N2OS2 and a molecular weight of 396.46 g/mol. Its IUPAC name is N,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID134047298
Molecular FormulaC18H15F3N2OS2
Molecular Weight396.46 g/mol
Exact Mass396.06
IUPAC NameN,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)N(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C18H15F3N2OS2/c1-11-15(26-16(22-11)14-8-5-9-25-14)17(24)23(2)10-12-6-3-4-7-13(12)18(19,20)21/h3-9H,10H2,1-2H3
InChIKeyNADIGRDIAMBLCX-UHFFFAOYSA-N
XLogP5.47
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.46
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 134047298) is N,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccs2)sc1C(=O)N(C)Cc1ccccc1C(F)(F)F.
What is the InChIKey of N,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is NADIGRDIAMBLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2OS2/c1-11-15(26-16(22-11)14-8-5-9-25-14)17(24)23(2)10-12-6-3-4-7-13(12)18(19,20)21/h3-9H,10H2,1-2H3.
What are the key properties of N,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
N,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 396.46 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 134047298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).