3-amino-N-[2-(furan-2-yl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C16H14F3N3O2S — CID 11675071

IUPAC3-amino-N-[2-(furan-2-yl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C(F)(F)F)c2c(N)c(C(=O)NCCc3ccco3)sc2n1
InChIInChI=1S/C16H14F3N3O2S/c1-8-7-10(16(17,18)19)11-12(20)13(25-15(11)22-8)14(23)21-5-4-9-3-2-6-24-9/h2-3,6-7H,4-5,20H2,1H3,(H,21,23)
InChIKeyRNEWYXPZTUXIDW-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.77
Rot. Bonds4

About 3-amino-N-[2-(furan-2-yl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-(furan-2-yl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 11675071) has the molecular formula C16H14F3N3O2S and a molecular weight of 369.37 g/mol. Its IUPAC name is 3-amino-N-[2-(furan-2-yl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(furan-2-yl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID11675071
Molecular FormulaC16H14F3N3O2S
Molecular Weight369.37 g/mol
Exact Mass369.08
IUPAC Name3-amino-N-[2-(furan-2-yl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C(F)(F)F)c2c(N)c(C(=O)NCCc3ccco3)sc2n1
InChIInChI=1S/C16H14F3N3O2S/c1-8-7-10(16(17,18)19)11-12(20)13(25-15(11)22-8)14(23)21-5-4-9-3-2-6-24-9/h2-3,6-7H,4-5,20H2,1H3,(H,21,23)
InChIKeyRNEWYXPZTUXIDW-UHFFFAOYSA-N
XLogP3.77
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

VU0152100
CID 864492
3-amino-N-cyclopropyl-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3324427
3-amino-N-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 689989
3-Amino-N-(2-furanylmethyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide
CID 734374
3-Amino-4-(2-furanyl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]thieno[3,2-e]pyridine-2-carboxamide
CID 46830215
1-[3-Amino-6-(furan-2-yl)thieno[2,3-b]pyridin-2-yl]ethanone
CID 930267
7H-9-Thia-1,5,6,7-tetraazafluoren-8-one, 7-furan-2-ylmethyl-4-methoxymethyl-2-methyl-
CID 714434
3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 1018148
2-(3-Methoxybenzoyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-B]pyridin-3-amine
CID 4137685
3-amino-4-(furan-2-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
CID 893110
3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004107
3-Amino-4-furan-2-yl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylic acid p-tolylamide
CID 1829266

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(furan-2-yl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(furan-2-yl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 11675071) is 3-amino-N-[2-(furan-2-yl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(furan-2-yl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(furan-2-yl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C(F)(F)F)c2c(N)c(C(=O)NCCc3ccco3)sc2n1.
What is the InChIKey of 3-amino-N-[2-(furan-2-yl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RNEWYXPZTUXIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2S/c1-8-7-10(16(17,18)19)11-12(20)13(25-15(11)22-8)14(23)21-5-4-9-3-2-6-24-9/h2-3,6-7H,4-5,20H2,1H3,(H,21,23).
What are the key properties of 3-amino-N-[2-(furan-2-yl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-(furan-2-yl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(furan-2-yl)ethyl]-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 11675071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).