N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine

C13H14N6S2 — CID 125424008

IUPACN'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
SMILESc1nc(NCCNc2nc(C3CC3)ns2)c2ccsc2n1
InChIInChI=1S/C13H14N6S2/c1-2-8(1)10-18-13(21-19-10)15-5-4-14-11-9-3-6-20-12(9)17-7-16-11/h3,6-8H,1-2,4-5H2,(H,14,16,17)(H,15,18,19)
InChIKeyUZFFLISPTGBHMK-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.94
Rot. Bonds6

About N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine

N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine (PubChem CID 125424008) has the molecular formula C13H14N6S2 and a molecular weight of 318.43 g/mol. Its IUPAC name is N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
PubChem CID125424008
Molecular FormulaC13H14N6S2
Molecular Weight318.43 g/mol
Exact Mass318.07
IUPAC NameN'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
SMILESc1nc(NCCNc2nc(C3CC3)ns2)c2ccsc2n1
InChIInChI=1S/C13H14N6S2/c1-2-8(1)10-18-13(21-19-10)15-5-4-14-11-9-3-6-20-12(9)17-7-16-11/h3,6-8H,1-2,4-5H2,(H,14,16,17)(H,15,18,19)
InChIKeyUZFFLISPTGBHMK-UHFFFAOYSA-N
XLogP2.94
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine?
The IUPAC name of N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine (CID 125424008) is N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine.
What is the SMILES notation for N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine?
The canonical SMILES for N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine is c1nc(NCCNc2nc(C3CC3)ns2)c2ccsc2n1.
What is the InChIKey of N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine?
The InChIKey is UZFFLISPTGBHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S2/c1-2-8(1)10-18-13(21-19-10)15-5-4-14-11-9-3-6-20-12(9)17-7-16-11/h3,6-8H,1-2,4-5H2,(H,14,16,17)(H,15,18,19).
What are the key properties of N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine?
N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine has a molecular weight of 318.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine is sourced from PubChem (CID 125424008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).