3-chloro-5-ethyl-2-(1-fluoroethyl)-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

C16H16ClFN2S2 — CID 154681150

IUPAC3-chloro-5-ethyl-2-(1-fluoroethyl)-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
SMILESCCc1cc(NCc2cccs2)c2sc(C(C)F)c(Cl)c2n1
InChIInChI=1S/C16H16ClFN2S2/c1-3-10-7-12(19-8-11-5-4-6-21-11)16-14(20-10)13(17)15(22-16)9(2)18/h4-7,9H,3,8H2,1-2H3,(H,19,20)
InChIKeyIZMDLFHFGINZFD-UHFFFAOYSA-N
MW354.90 g/mol
LogP6.22
Rot. Bonds5

About 3-chloro-5-ethyl-2-(1-fluoroethyl)-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine

3-chloro-5-ethyl-2-(1-fluoroethyl)-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (PubChem CID 154681150) has the molecular formula C16H16ClFN2S2 and a molecular weight of 354.90 g/mol. Its IUPAC name is 3-chloro-5-ethyl-2-(1-fluoroethyl)-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound Name3-chloro-5-ethyl-2-(1-fluoroethyl)-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
PubChem CID154681150
Molecular FormulaC16H16ClFN2S2
Molecular Weight354.90 g/mol
Exact Mass354.04
IUPAC Name3-chloro-5-ethyl-2-(1-fluoroethyl)-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
SMILESCCc1cc(NCc2cccs2)c2sc(C(C)F)c(Cl)c2n1
InChIInChI=1S/C16H16ClFN2S2/c1-3-10-7-12(19-8-11-5-4-6-21-11)16-14(20-10)13(17)15(22-16)9(2)18/h4-7,9H,3,8H2,1-2H3,(H,19,20)
InChIKeyIZMDLFHFGINZFD-UHFFFAOYSA-N
XLogP6.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.90
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-ethyl-2-(1-fluoroethyl)-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine with MolForge

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Related Compounds

2-[(1S)-1-aminoethyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;hydrochloride
CID 162390915
2-(aminomethyl)-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 155066343
2-(2-aminoethyl)-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 155066266
2-(1-aminopentan-2-yl)-3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 154681174
(2S)-2-amino-1-[3-bromo-5-chloro-7-(thiophen-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]propan-1-one;dihydrochloride
CID 162391090
2-[(2S)-2-aminobutyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 162390977
2-[(1R,2R)-2-aminocyclopentyl]-3,5-dichloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170644885
2-[(2S)-2-aminobutyl]-3-bromo-5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;dihydrochloride
CID 162390867
acetylene;2-N-(2-aminoethyl)-5-ethyl-3-methyl-7-N-(thiophen-2-ylmethyl)-1H-pyrrolo[3,2-b]pyridine-2,7-diamine
CID 170792248
5-chloro-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170643760
2-ethyl-7-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-3,7-diamine
CID 154681334
2-[(1R,2R)-2-aminocyclohexyl]-5-chloro-3-methyl-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine
CID 170643905

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethyl-2-(1-fluoroethyl)-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The IUPAC name of 3-chloro-5-ethyl-2-(1-fluoroethyl)-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine (CID 154681150) is 3-chloro-5-ethyl-2-(1-fluoroethyl)-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for 3-chloro-5-ethyl-2-(1-fluoroethyl)-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for 3-chloro-5-ethyl-2-(1-fluoroethyl)-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is CCc1cc(NCc2cccs2)c2sc(C(C)F)c(Cl)c2n1.
What is the InChIKey of 3-chloro-5-ethyl-2-(1-fluoroethyl)-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
The InChIKey is IZMDLFHFGINZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2S2/c1-3-10-7-12(19-8-11-5-4-6-21-11)16-14(20-10)13(17)15(22-16)9(2)18/h4-7,9H,3,8H2,1-2H3,(H,19,20).
What are the key properties of 3-chloro-5-ethyl-2-(1-fluoroethyl)-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine?
3-chloro-5-ethyl-2-(1-fluoroethyl)-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine has a molecular weight of 354.90 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethyl-2-(1-fluoroethyl)-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 154681150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).