N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine

C18H12N4S2 — CID 18382853

IUPACN-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine
SMILESc1csc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)c1
InChIInChI=1S/C18H12N4S2/c1-2-15(23-7-1)16-9-14-17(24-16)18(21-10-20-14)22-12-3-4-13-11(8-12)5-6-19-13/h1-10,19H,(H,20,21,22)
InChIKeyYXIIIHIHDBMOTL-UHFFFAOYSA-N
MW348.46 g/mol
LogP5.64
Rot. Bonds3

About N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine

N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 18382853) has the molecular formula C18H12N4S2 and a molecular weight of 348.46 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine
PubChem CID18382853
Molecular FormulaC18H12N4S2
Molecular Weight348.46 g/mol
Exact Mass348.05
IUPAC NameN-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine
SMILESc1csc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)c1
InChIInChI=1S/C18H12N4S2/c1-2-15(23-7-1)16-9-14-17(24-16)18(21-10-20-14)22-12-3-4-13-11(8-12)5-6-19-13/h1-10,19H,(H,20,21,22)
InChIKeyYXIIIHIHDBMOTL-UHFFFAOYSA-N
XLogP5.64
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.46
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine (CID 18382853) is N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine is c1csc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)c1.
What is the InChIKey of N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is YXIIIHIHDBMOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4S2/c1-2-15(23-7-1)16-9-14-17(24-16)18(21-10-20-14)22-12-3-4-13-11(8-12)5-6-19-13/h1-10,19H,(H,20,21,22).
What are the key properties of N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine?
N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 348.46 g/mol, XLogP of 5.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-6-thiophen-2-ylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 18382853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).