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

C18H15F3N2O2S2 — CID 38259366

IUPACN,4-dimethyl-2-thiophen-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C18H15F3N2O2S2/c1-11-15(27-16(22-11)13-7-8-26-10-13)17(24)23(2)9-12-5-3-4-6-14(12)25-18(19,20)21/h3-8,10H,9H2,1-2H3
InChIKeyIARAZTVKNVQDID-UHFFFAOYSA-N
MW412.46 g/mol
LogP5.35
Rot. Bonds5

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

N,4-dimethyl-2-thiophen-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 38259366) has the molecular formula C18H15F3N2O2S2 and a molecular weight of 412.46 g/mol. Its IUPAC name is N,4-dimethyl-2-thiophen-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-thiophen-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID38259366
Molecular FormulaC18H15F3N2O2S2
Molecular Weight412.46 g/mol
Exact Mass412.05
IUPAC NameN,4-dimethyl-2-thiophen-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C18H15F3N2O2S2/c1-11-15(27-16(22-11)13-7-8-26-10-13)17(24)23(2)9-12-5-3-4-6-14(12)25-18(19,20)21/h3-8,10H,9H2,1-2H3
InChIKeyIARAZTVKNVQDID-UHFFFAOYSA-N
XLogP5.35
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 41437625
N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 51237676
N-[(5-bromothiophen-2-yl)methyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55427148
N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 27863937
N,4-dimethyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46666940
N,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 134047298
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,4-dimethyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46563409
4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 31839852
N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080833
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 46660459
N-methyl-2-[(4-methylphenoxy)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 38076408
N-ethyl-4-methyl-N-(2-phenylethyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55587242

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-thiophen-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-2-thiophen-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 38259366) is N,4-dimethyl-2-thiophen-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-thiophen-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-2-thiophen-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1ccccc1OC(F)(F)F.
What is the InChIKey of N,4-dimethyl-2-thiophen-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IARAZTVKNVQDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2S2/c1-11-15(27-16(22-11)13-7-8-26-10-13)17(24)23(2)9-12-5-3-4-6-14(12)25-18(19,20)21/h3-8,10H,9H2,1-2H3.
What are the key properties of N,4-dimethyl-2-thiophen-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide?
N,4-dimethyl-2-thiophen-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 412.46 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-thiophen-3-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 38259366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).