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

C16H20N6OS2 — CID 123846184

IUPAC2-amino-N-[5-(3-aminopiperidin-1-yl)-2,3-dihydro-1,2-thiazol-4-yl]thieno[3,2-b]pyridine-3-carboxamide
SMILESNc1sc2cccnc2c1C(=O)NC1=C(N2CCCC(N)C2)SNC1
InChIInChI=1S/C16H20N6OS2/c17-9-3-2-6-22(8-9)16-10(7-20-25-16)21-15(23)12-13-11(24-14(12)18)4-1-5-19-13/h1,4-5,9,20H,2-3,6-8,17-18H2,(H,21,23)
InChIKeyBBFZEXKGRXTANQ-UHFFFAOYSA-N
MW376.51 g/mol
LogP1.45
Rot. Bonds3

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

2-amino-N-[5-(3-aminopiperidin-1-yl)-2,3-dihydro-1,2-thiazol-4-yl]thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 123846184) has the molecular formula C16H20N6OS2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-amino-N-[5-(3-aminopiperidin-1-yl)-2,3-dihydro-1,2-thiazol-4-yl]thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[5-(3-aminopiperidin-1-yl)-2,3-dihydro-1,2-thiazol-4-yl]thieno[3,2-b]pyridine-3-carboxamide
PubChem CID123846184
Molecular FormulaC16H20N6OS2
Molecular Weight376.51 g/mol
Exact Mass376.11
IUPAC Name2-amino-N-[5-(3-aminopiperidin-1-yl)-2,3-dihydro-1,2-thiazol-4-yl]thieno[3,2-b]pyridine-3-carboxamide
SMILESNc1sc2cccnc2c1C(=O)NC1=C(N2CCCC(N)C2)SNC1
InChIInChI=1S/C16H20N6OS2/c17-9-3-2-6-22(8-9)16-10(7-20-25-16)21-15(23)12-13-11(24-14(12)18)4-1-5-19-13/h1,4-5,9,20H,2-3,6-8,17-18H2,(H,21,23)
InChIKeyBBFZEXKGRXTANQ-UHFFFAOYSA-N
XLogP1.45
TPSA109.30 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid
CID 61403945
1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-amine
CID 102549121
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 58182177
1-(3-methyl-2-pyridinyl)piperidin-3-amine
CID 62253167
1-(2-methyl-3-pyridinyl)piperidin-3-amine
CID 79043598
1-pyridazin-3-ylpiperidin-3-amine
CID 54593919
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 51002498
(3-aminothieno[3,2-b]pyridin-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112629406
tert-butyl N-(1-pyridin-3-ylpiperidin-3-yl)carbamate;1-pyridin-3-ylpiperidin-3-amine
CID 167592653
4-amino-2-[(3R)-3-aminopiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 95732618
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 51001945
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide
CID 99926421

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(3-aminopiperidin-1-yl)-2,3-dihydro-1,2-thiazol-4-yl]thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[5-(3-aminopiperidin-1-yl)-2,3-dihydro-1,2-thiazol-4-yl]thieno[3,2-b]pyridine-3-carboxamide (CID 123846184) is 2-amino-N-[5-(3-aminopiperidin-1-yl)-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-(3-aminopiperidin-1-yl)-2,3-dihydro-1,2-thiazol-4-yl]thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[5-(3-aminopiperidin-1-yl)-2,3-dihydro-1,2-thiazol-4-yl]thieno[3,2-b]pyridine-3-carboxamide is Nc1sc2cccnc2c1C(=O)NC1=C(N2CCCC(N)C2)SNC1.
What is the InChIKey of 2-amino-N-[5-(3-aminopiperidin-1-yl)-2,3-dihydro-1,2-thiazol-4-yl]thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is BBFZEXKGRXTANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS2/c17-9-3-2-6-22(8-9)16-10(7-20-25-16)21-15(23)12-13-11(24-14(12)18)4-1-5-19-13/h1,4-5,9,20H,2-3,6-8,17-18H2,(H,21,23).
What are the key properties of 2-amino-N-[5-(3-aminopiperidin-1-yl)-2,3-dihydro-1,2-thiazol-4-yl]thieno[3,2-b]pyridine-3-carboxamide?
2-amino-N-[5-(3-aminopiperidin-1-yl)-2,3-dihydro-1,2-thiazol-4-yl]thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 376.51 g/mol, XLogP of 1.45, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(3-aminopiperidin-1-yl)-2,3-dihydro-1,2-thiazol-4-yl]thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 123846184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).