[3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate

C15H9ClF3N3O2S — CID 23134994

IUPAC[3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate
SMILESNC(=O)Oc1sc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C15H9ClF3N3O2S/c16-7-3-1-6(2-4-7)9-5-8(15(17,18)19)10-11(20)13(24-14(21)23)25-12(10)22-9/h1-5H,20H2,(H2,21,23)
InChIKeyJPALTFGEPTYRGF-UHFFFAOYSA-N
MW387.77 g/mol
LogP4.68
Rot. Bonds2

About [3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate

[3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate (PubChem CID 23134994) has the molecular formula C15H9ClF3N3O2S and a molecular weight of 387.77 g/mol. Its IUPAC name is [3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate.

Molecular Properties

Compound Name[3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate
PubChem CID23134994
Molecular FormulaC15H9ClF3N3O2S
Molecular Weight387.77 g/mol
Exact Mass387.01
IUPAC Name[3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate
SMILESNC(=O)Oc1sc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C15H9ClF3N3O2S/c16-7-3-1-6(2-4-7)9-5-8(15(17,18)19)10-11(20)13(24-14(21)23)25-12(10)22-9/h1-5H,20H2,(H2,21,23)
InChIKeyJPALTFGEPTYRGF-UHFFFAOYSA-N
XLogP4.68
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.77
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 11494474
[3-amino-6-(4-fluorophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate
CID 23109671
[3-amino-6-(4-bromophenyl)-4-methylthieno[2,3-b]pyridin-2-yl] carbamate
CID 23135000
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
CID 4251194
3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 712459
methyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 1086462
[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone
CID 1005220
[3-amino-4-methyl-6-(3-methylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 23134993
3-amino-6-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 15994595
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone
CID 1005350
3-amino-6-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 87048301
3-amino-6-(2,4-dichlorophenyl)-N-ethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2968252

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate?
The IUPAC name of [3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate (CID 23134994) is [3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate.
What is the SMILES notation for [3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate?
The canonical SMILES for [3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate is NC(=O)Oc1sc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c2c1N.
What is the InChIKey of [3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate?
The InChIKey is JPALTFGEPTYRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O2S/c16-7-3-1-6(2-4-7)9-5-8(15(17,18)19)10-11(20)13(24-14(21)23)25-12(10)22-9/h1-5H,20H2,(H2,21,23).
What are the key properties of [3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate?
[3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate has a molecular weight of 387.77 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate is sourced from PubChem (CID 23134994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).