2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)indolizine-1-carbonitrile

C16H10N4S2 — CID 47016842

IUPAC2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)indolizine-1-carbonitrile
SMILESN#Cc1c(CSc2ncnc3ccsc23)cn2ccccc12
InChIInChI=1S/C16H10N4S2/c17-7-12-11(8-20-5-2-1-3-14(12)20)9-22-16-15-13(4-6-21-15)18-10-19-16/h1-6,8,10H,9H2
InChIKeyRPWNAYZOWYDAIQ-UHFFFAOYSA-N
MW322.42 g/mol
LogP4.11
Rot. Bonds3

About 2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)indolizine-1-carbonitrile

2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)indolizine-1-carbonitrile (PubChem CID 47016842) has the molecular formula C16H10N4S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)indolizine-1-carbonitrile
PubChem CID47016842
Molecular FormulaC16H10N4S2
Molecular Weight322.42 g/mol
Exact Mass322.03
IUPAC Name2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)indolizine-1-carbonitrile
SMILESN#Cc1c(CSc2ncnc3ccsc23)cn2ccccc12
InChIInChI=1S/C16H10N4S2/c17-7-12-11(8-20-5-2-1-3-14(12)20)9-22-16-15-13(4-6-21-15)18-10-19-16/h1-6,8,10H,9H2
InChIKeyRPWNAYZOWYDAIQ-UHFFFAOYSA-N
XLogP4.11
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)indolizine-1-carbonitrile?
The IUPAC name of 2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)indolizine-1-carbonitrile (CID 47016842) is 2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)indolizine-1-carbonitrile.
What is the SMILES notation for 2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)indolizine-1-carbonitrile?
The canonical SMILES for 2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)indolizine-1-carbonitrile is N#Cc1c(CSc2ncnc3ccsc23)cn2ccccc12.
What is the InChIKey of 2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)indolizine-1-carbonitrile?
The InChIKey is RPWNAYZOWYDAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4S2/c17-7-12-11(8-20-5-2-1-3-14(12)20)9-22-16-15-13(4-6-21-15)18-10-19-16/h1-6,8,10H,9H2.
What are the key properties of 2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)indolizine-1-carbonitrile?
2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)indolizine-1-carbonitrile has a molecular weight of 322.42 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)indolizine-1-carbonitrile is sourced from PubChem (CID 47016842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).