2-amino-N-(5-methyl-2,3-dihydro-1,2-thiazol-4-yl)thieno[3,2-b]pyridine-3-carboxamide

C12H12N4OS2 — CID 126512570

IUPAC2-amino-N-(5-methyl-2,3-dihydro-1,2-thiazol-4-yl)thieno[3,2-b]pyridine-3-carboxamide
SMILESCC1=C(NC(=O)c2c(N)sc3cccnc23)CNS1
InChIInChI=1S/C12H12N4OS2/c1-6-7(5-15-19-6)16-12(17)9-10-8(18-11(9)13)3-2-4-14-10/h2-4,15H,5,13H2,1H3,(H,16,17)
InChIKeyDLHODUZVGSUAMD-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.09
Rot. Bonds2

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

2-amino-N-(5-methyl-2,3-dihydro-1,2-thiazol-4-yl)thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 126512570) has the molecular formula C12H12N4OS2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-amino-N-(5-methyl-2,3-dihydro-1,2-thiazol-4-yl)thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-methyl-2,3-dihydro-1,2-thiazol-4-yl)thieno[3,2-b]pyridine-3-carboxamide
PubChem CID126512570
Molecular FormulaC12H12N4OS2
Molecular Weight292.39 g/mol
Exact Mass292.05
IUPAC Name2-amino-N-(5-methyl-2,3-dihydro-1,2-thiazol-4-yl)thieno[3,2-b]pyridine-3-carboxamide
SMILESCC1=C(NC(=O)c2c(N)sc3cccnc23)CNS1
InChIInChI=1S/C12H12N4OS2/c1-6-7(5-15-19-6)16-12(17)9-10-8(18-11(9)13)3-2-4-14-10/h2-4,15H,5,13H2,1H3,(H,16,17)
InChIKeyDLHODUZVGSUAMD-UHFFFAOYSA-N
XLogP2.09
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-methyl-2,3-dihydro-1,2-thiazol-4-yl)thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(5-methyl-2,3-dihydro-1,2-thiazol-4-yl)thieno[3,2-b]pyridine-3-carboxamide (CID 126512570) is 2-amino-N-(5-methyl-2,3-dihydro-1,2-thiazol-4-yl)thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(5-methyl-2,3-dihydro-1,2-thiazol-4-yl)thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(5-methyl-2,3-dihydro-1,2-thiazol-4-yl)thieno[3,2-b]pyridine-3-carboxamide is CC1=C(NC(=O)c2c(N)sc3cccnc23)CNS1.
What is the InChIKey of 2-amino-N-(5-methyl-2,3-dihydro-1,2-thiazol-4-yl)thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is DLHODUZVGSUAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS2/c1-6-7(5-15-19-6)16-12(17)9-10-8(18-11(9)13)3-2-4-14-10/h2-4,15H,5,13H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(5-methyl-2,3-dihydro-1,2-thiazol-4-yl)thieno[3,2-b]pyridine-3-carboxamide?
2-amino-N-(5-methyl-2,3-dihydro-1,2-thiazol-4-yl)thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 292.39 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-methyl-2,3-dihydro-1,2-thiazol-4-yl)thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 126512570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).