N-ethyl-4-[4-(trifluoromethoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxamide

C16H13F3N4O2S — CID 42634390

IUPACN-ethyl-4-[4-(trifluoromethoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1
InChIInChI=1S/C16H13F3N4O2S/c1-2-20-14(24)12-7-11-13(21-8-22-15(11)26-12)23-9-3-5-10(6-4-9)25-16(17,18)19/h3-8H,2H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyZXJCTVGWBHRFOZ-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.08
Rot. Bonds5

About N-ethyl-4-[4-(trifluoromethoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxamide

N-ethyl-4-[4-(trifluoromethoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42634390) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is N-ethyl-4-[4-(trifluoromethoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[4-(trifluoromethoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID42634390
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC NameN-ethyl-4-[4-(trifluoromethoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1
InChIInChI=1S/C16H13F3N4O2S/c1-2-20-14(24)12-7-11-13(21-8-22-15(11)26-12)23-9-3-5-10(6-4-9)25-16(17,18)19/h3-8H,2H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyZXJCTVGWBHRFOZ-UHFFFAOYSA-N
XLogP4.08
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-ethyl-4-[4-(trifluoromethoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

PMID23084894C9n
CID 16725048
PMID23084894C10i
CID 57559562
N-[2-(dimethylamino)ethyl]-3-methoxy-4-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]benzamide
CID 127026710
N-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 5157219
N-(4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine hydrochloride
CID 16370450
N1-[4-(trifluoromethoxy)phenyl]-4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 2808509
3-(Ethylamino)-11-(4-methoxyphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 16117432
11-(4-Methoxyphenyl)-3-(methylamino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 16117433
3-(Dimethylamino)-11-(4-methoxyphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 16118815
3-(Cyclopropylamino)-11-(4-methoxyphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 16118816
13-[Cyclopropyl(methyl)amino]-5-(4-methoxyphenyl)-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 16730193
Piperazin-1-yl(4-(4-(trifluoromethoxy)phenylamino)thieno[2,3-d]pyrimidin-6-yl)methanone
CID 42634392

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(trifluoromethoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-ethyl-4-[4-(trifluoromethoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 42634390) is N-ethyl-4-[4-(trifluoromethoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethyl-4-[4-(trifluoromethoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-ethyl-4-[4-(trifluoromethoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxamide is CCNC(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1.
What is the InChIKey of N-ethyl-4-[4-(trifluoromethoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZXJCTVGWBHRFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c1-2-20-14(24)12-7-11-13(21-8-22-15(11)26-12)23-9-3-5-10(6-4-9)25-16(17,18)19/h3-8H,2H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-ethyl-4-[4-(trifluoromethoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxamide?
N-ethyl-4-[4-(trifluoromethoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(trifluoromethoxy)anilino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42634390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).