5-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine;ethane

C10H13N3S — CID 142514394

IUPAC5-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine;ethane
SMILESCC.c1nc2cnc(C3CC3)nc2s1
InChIInChI=1S/C8H7N3S.C2H6/c1-2-5(1)7-9-3-6-8(11-7)12-4-10-6;1-2/h3-5H,1-2H2;1-2H3
InChIKeySBTHOUVIPKLIOD-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.99
Rot. Bonds1

About 5-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine;ethane

5-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine;ethane (PubChem CID 142514394) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine;ethane.

Molecular Properties

Compound Name5-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine;ethane
PubChem CID142514394
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name5-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine;ethane
SMILESCC.c1nc2cnc(C3CC3)nc2s1
InChIInChI=1S/C8H7N3S.C2H6/c1-2-5(1)7-9-3-6-8(11-7)12-4-10-6;1-2/h3-5H,1-2H2;1-2H3
InChIKeySBTHOUVIPKLIOD-UHFFFAOYSA-N
XLogP2.99
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine;ethane?
The IUPAC name of 5-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine;ethane (CID 142514394) is 5-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine;ethane.
What is the SMILES notation for 5-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine;ethane?
The canonical SMILES for 5-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine;ethane is CC.c1nc2cnc(C3CC3)nc2s1.
What is the InChIKey of 5-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine;ethane?
The InChIKey is SBTHOUVIPKLIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S.C2H6/c1-2-5(1)7-9-3-6-8(11-7)12-4-10-6;1-2/h3-5H,1-2H2;1-2H3.
What are the key properties of 5-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine;ethane?
5-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine;ethane has a molecular weight of 207.30 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine;ethane is sourced from PubChem (CID 142514394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).