5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methyl-1,3,4-thiadiazol-2-amine

C15H13N5S4 — CID 18206358

IUPAC5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Sc2nc(-c3cccs3)nc3sc(C)c(C)c23)s1
InChIInChI=1S/C15H13N5S4/c1-7-8(2)22-12-10(7)13(23-15-20-19-14(16-3)24-15)18-11(17-12)9-5-4-6-21-9/h4-6H,1-3H3,(H,16,19)
InChIKeyXKLRFSZLUIRCAJ-UHFFFAOYSA-N
MW391.57 g/mol
LogP5.08
Rot. Bonds4

About 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methyl-1,3,4-thiadiazol-2-amine

5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 18206358) has the molecular formula C15H13N5S4 and a molecular weight of 391.57 g/mol. Its IUPAC name is 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID18206358
Molecular FormulaC15H13N5S4
Molecular Weight391.57 g/mol
Exact Mass391.01
IUPAC Name5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Sc2nc(-c3cccs3)nc3sc(C)c(C)c23)s1
InChIInChI=1S/C15H13N5S4/c1-7-8(2)22-12-10(7)13(23-15-20-19-14(16-3)24-15)18-11(17-12)9-5-4-6-21-9/h4-6H,1-3H3,(H,16,19)
InChIKeyXKLRFSZLUIRCAJ-UHFFFAOYSA-N
XLogP5.08
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.57
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methyl-1,3,4-thiadiazol-2-amine (CID 18206358) is 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(Sc2nc(-c3cccs3)nc3sc(C)c(C)c23)s1.
What is the InChIKey of 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is XKLRFSZLUIRCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S4/c1-7-8(2)22-12-10(7)13(23-15-20-19-14(16-3)24-15)18-11(17-12)9-5-4-6-21-9/h4-6H,1-3H3,(H,16,19).
What are the key properties of 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methyl-1,3,4-thiadiazol-2-amine?
5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 391.57 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18206358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).