N-(1-pyrimidin-2-ylpiperidin-4-yl)thieno[3,2-c]pyridin-4-amine

C16H17N5S — CID 47054056

IUPACN-(1-pyrimidin-2-ylpiperidin-4-yl)thieno[3,2-c]pyridin-4-amine
SMILESc1cnc(N2CCC(Nc3nccc4sccc34)CC2)nc1
InChIInChI=1S/C16H17N5S/c1-6-18-16(19-7-1)21-9-3-12(4-10-21)20-15-13-5-11-22-14(13)2-8-17-15/h1-2,5-8,11-12H,3-4,9-10H2,(H,17,20)
InChIKeyBGXKVZWRQDXPBV-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.17
Rot. Bonds3

About N-(1-pyrimidin-2-ylpiperidin-4-yl)thieno[3,2-c]pyridin-4-amine

N-(1-pyrimidin-2-ylpiperidin-4-yl)thieno[3,2-c]pyridin-4-amine (PubChem CID 47054056) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(1-pyrimidin-2-ylpiperidin-4-yl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(1-pyrimidin-2-ylpiperidin-4-yl)thieno[3,2-c]pyridin-4-amine
PubChem CID47054056
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC NameN-(1-pyrimidin-2-ylpiperidin-4-yl)thieno[3,2-c]pyridin-4-amine
SMILESc1cnc(N2CCC(Nc3nccc4sccc34)CC2)nc1
InChIInChI=1S/C16H17N5S/c1-6-18-16(19-7-1)21-9-3-12(4-10-21)20-15-13-5-11-22-14(13)2-8-17-15/h1-2,5-8,11-12H,3-4,9-10H2,(H,17,20)
InChIKeyBGXKVZWRQDXPBV-UHFFFAOYSA-N
XLogP3.17
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyrimidin-2-ylpiperidin-4-yl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-(1-pyrimidin-2-ylpiperidin-4-yl)thieno[3,2-c]pyridin-4-amine (CID 47054056) is N-(1-pyrimidin-2-ylpiperidin-4-yl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(1-pyrimidin-2-ylpiperidin-4-yl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(1-pyrimidin-2-ylpiperidin-4-yl)thieno[3,2-c]pyridin-4-amine is c1cnc(N2CCC(Nc3nccc4sccc34)CC2)nc1.
What is the InChIKey of N-(1-pyrimidin-2-ylpiperidin-4-yl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is BGXKVZWRQDXPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-6-18-16(19-7-1)21-9-3-12(4-10-21)20-15-13-5-11-22-14(13)2-8-17-15/h1-2,5-8,11-12H,3-4,9-10H2,(H,17,20).
What are the key properties of N-(1-pyrimidin-2-ylpiperidin-4-yl)thieno[3,2-c]pyridin-4-amine?
N-(1-pyrimidin-2-ylpiperidin-4-yl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 311.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrimidin-2-ylpiperidin-4-yl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 47054056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).