3-amino-4-(difluoromethyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide

C14H12F2N4O2S — CID 47001015

IUPAC3-amino-4-(difluoromethyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C(F)F)c2c(N)c(C(=O)Nc3cc(C)on3)sc2n1
InChIInChI=1S/C14H12F2N4O2S/c1-5-3-7(12(15)16)9-10(17)11(23-14(9)18-5)13(21)19-8-4-6(2)22-20-8/h3-4,12H,17H2,1-2H3,(H,19,20,21)
InChIKeyYJCBPCSLRYTMQA-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.67
Rot. Bonds3

About 3-amino-4-(difluoromethyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-4-(difluoromethyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 47001015) has the molecular formula C14H12F2N4O2S and a molecular weight of 338.34 g/mol. Its IUPAC name is 3-amino-4-(difluoromethyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(difluoromethyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID47001015
Molecular FormulaC14H12F2N4O2S
Molecular Weight338.34 g/mol
Exact Mass338.06
IUPAC Name3-amino-4-(difluoromethyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C(F)F)c2c(N)c(C(=O)Nc3cc(C)on3)sc2n1
InChIInChI=1S/C14H12F2N4O2S/c1-5-3-7(12(15)16)9-10(17)11(23-14(9)18-5)13(21)19-8-4-6(2)22-20-8/h3-4,12H,17H2,1-2H3,(H,19,20,21)
InChIKeyYJCBPCSLRYTMQA-UHFFFAOYSA-N
XLogP3.67
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 647187
2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 23734246
3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1086352
3-amino-6-methyl-N-(6-methylpyridin-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1035932
3-amino-4,5,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 948055
3-amino-6-methyl-N-(5-methyl-3-isoxazolyl)-4-(2-thienyl)-5,6,7,8-tetrahydrothieno[2,3-b]-1,6-naphthyridine-2-carboxamide
CID 2057298
7-amino-N-(5-methyl-1,2-oxazol-3-yl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide
CID 2990596
6-acetyl-3-amino-N-(5-methyl-3-isoxazolyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1508922
3-amino-6-(4-methoxyphenyl)-N-(5-methyl-3-isoxazolyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 15994595
Thieno[2,3-b]pyridine-2-carboxamide, 3-amino-6-(pyridin-3-yl)-N-(5-methylisoxazol-3-yl)-
CID 1086353
3-amino-4-methyl-N-[(2E)-4-methyl-1,3-thiazol-2(3H)-ylidene]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1982217
3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 5087972

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(difluoromethyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(difluoromethyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 47001015) is 3-amino-4-(difluoromethyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(difluoromethyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(difluoromethyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C(F)F)c2c(N)c(C(=O)Nc3cc(C)on3)sc2n1.
What is the InChIKey of 3-amino-4-(difluoromethyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YJCBPCSLRYTMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O2S/c1-5-3-7(12(15)16)9-10(17)11(23-14(9)18-5)13(21)19-8-4-6(2)22-20-8/h3-4,12H,17H2,1-2H3,(H,19,20,21).
What are the key properties of 3-amino-4-(difluoromethyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-(difluoromethyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(difluoromethyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 47001015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).