3-amino-N,N-dimethyl-6-[3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

C20H25N5OS2 — CID 110100713

IUPAC3-amino-N,N-dimethyl-6-[3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2nc(C3(C)CCCN(Cc4cncs4)C3)ccc2c1N
InChIInChI=1S/C20H25N5OS2/c1-20(7-4-8-25(11-20)10-13-9-22-12-27-13)15-6-5-14-16(21)17(19(26)24(2)3)28-18(14)23-15/h5-6,9,12H,4,7-8,10-11,21H2,1-3H3
InChIKeyQDXAKIPAHXNMFM-UHFFFAOYSA-N
MW415.59 g/mol
LogP3.59
Rot. Bonds4

About 3-amino-N,N-dimethyl-6-[3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-N,N-dimethyl-6-[3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 110100713) has the molecular formula C20H25N5OS2 and a molecular weight of 415.59 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-6-[3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-6-[3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID110100713
Molecular FormulaC20H25N5OS2
Molecular Weight415.59 g/mol
Exact Mass415.15
IUPAC Name3-amino-N,N-dimethyl-6-[3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2nc(C3(C)CCCN(Cc4cncs4)C3)ccc2c1N
InChIInChI=1S/C20H25N5OS2/c1-20(7-4-8-25(11-20)10-13-9-22-12-27-13)15-6-5-14-16(21)17(19(26)24(2)3)28-18(14)23-15/h5-6,9,12H,4,7-8,10-11,21H2,1-3H3
InChIKeyQDXAKIPAHXNMFM-UHFFFAOYSA-N
XLogP3.59
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.59
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-6-[3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N,N-dimethyl-6-[3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 110100713) is 3-amino-N,N-dimethyl-6-[3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-6-[3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N,N-dimethyl-6-[3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is CN(C)C(=O)c1sc2nc(C3(C)CCCN(Cc4cncs4)C3)ccc2c1N.
What is the InChIKey of 3-amino-N,N-dimethyl-6-[3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QDXAKIPAHXNMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS2/c1-20(7-4-8-25(11-20)10-13-9-22-12-27-13)15-6-5-14-16(21)17(19(26)24(2)3)28-18(14)23-15/h5-6,9,12H,4,7-8,10-11,21H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-6-[3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N,N-dimethyl-6-[3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 415.59 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-6-[3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 110100713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).