2-(furan-2-yl)-5-N-propyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine

C12H13N5OS — CID 134151346

IUPAC2-(furan-2-yl)-5-N-propyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESCCCNc1nc(N)c2nc(-c3ccco3)sc2n1
InChIInChI=1S/C12H13N5OS/c1-2-5-14-12-16-9(13)8-11(17-12)19-10(15-8)7-4-3-6-18-7/h3-4,6H,2,5H2,1H3,(H3,13,14,16,17)
InChIKeyCWZAIFYZEWXELS-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.75
Rot. Bonds4

About 2-(furan-2-yl)-5-N-propyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine

2-(furan-2-yl)-5-N-propyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (PubChem CID 134151346) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-N-propyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-N-propyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
PubChem CID134151346
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name2-(furan-2-yl)-5-N-propyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
SMILESCCCNc1nc(N)c2nc(-c3ccco3)sc2n1
InChIInChI=1S/C12H13N5OS/c1-2-5-14-12-16-9(13)8-11(17-12)19-10(15-8)7-4-3-6-18-7/h3-4,6H,2,5H2,1H3,(H3,13,14,16,17)
InChIKeyCWZAIFYZEWXELS-UHFFFAOYSA-N
XLogP2.75
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-N-propyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The IUPAC name of 2-(furan-2-yl)-5-N-propyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine (CID 134151346) is 2-(furan-2-yl)-5-N-propyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-(furan-2-yl)-5-N-propyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The canonical SMILES for 2-(furan-2-yl)-5-N-propyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is CCCNc1nc(N)c2nc(-c3ccco3)sc2n1.
What is the InChIKey of 2-(furan-2-yl)-5-N-propyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
The InChIKey is CWZAIFYZEWXELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-2-5-14-12-16-9(13)8-11(17-12)19-10(15-8)7-4-3-6-18-7/h3-4,6H,2,5H2,1H3,(H3,13,14,16,17).
What are the key properties of 2-(furan-2-yl)-5-N-propyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine?
2-(furan-2-yl)-5-N-propyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine has a molecular weight of 275.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-N-propyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 134151346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).