5-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

C14H16ClN5S — CID 62868181

IUPAC5-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESClc1nc(N2CCCC2)nc(N2CCc3sccc3C2)n1
InChIInChI=1S/C14H16ClN5S/c15-12-16-13(19-5-1-2-6-19)18-14(17-12)20-7-3-11-10(9-20)4-8-21-11/h4,8H,1-3,5-7,9H2
InChIKeyHALMFFITQYOJFY-UHFFFAOYSA-N
MW321.84 g/mol
LogP2.75
Rot. Bonds2

About 5-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 62868181) has the molecular formula C14H16ClN5S and a molecular weight of 321.84 g/mol. Its IUPAC name is 5-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID62868181
Molecular FormulaC14H16ClN5S
Molecular Weight321.84 g/mol
Exact Mass321.08
IUPAC Name5-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESClc1nc(N2CCCC2)nc(N2CCc3sccc3C2)n1
InChIInChI=1S/C14H16ClN5S/c15-12-16-13(19-5-1-2-6-19)18-14(17-12)20-7-3-11-10(9-20)4-8-21-11/h4,8H,1-3,5-7,9H2
InChIKeyHALMFFITQYOJFY-UHFFFAOYSA-N
XLogP2.75
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.84
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 62868181) is 5-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is Clc1nc(N2CCCC2)nc(N2CCc3sccc3C2)n1.
What is the InChIKey of 5-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is HALMFFITQYOJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5S/c15-12-16-13(19-5-1-2-6-19)18-14(17-12)20-7-3-11-10(9-20)4-8-21-11/h4,8H,1-3,5-7,9H2.
What are the key properties of 5-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 321.84 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 62868181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).