2,4-di(pyrrolidin-3-yl)-1,3-thiazole

C11H17N3S — CID 115034162

IUPAC2,4-di(pyrrolidin-3-yl)-1,3-thiazole
SMILESc1sc(C2CCNC2)nc1C1CCNC1
InChIInChI=1S/C11H17N3S/c1-3-12-5-8(1)10-7-15-11(14-10)9-2-4-13-6-9/h7-9,12-13H,1-6H2
InChIKeyDATHFVDRGWFVDR-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.30
Rot. Bonds2

About 2,4-di(pyrrolidin-3-yl)-1,3-thiazole

2,4-di(pyrrolidin-3-yl)-1,3-thiazole (PubChem CID 115034162) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2,4-di(pyrrolidin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,4-di(pyrrolidin-3-yl)-1,3-thiazole
PubChem CID115034162
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2,4-di(pyrrolidin-3-yl)-1,3-thiazole
SMILESc1sc(C2CCNC2)nc1C1CCNC1
InChIInChI=1S/C11H17N3S/c1-3-12-5-8(1)10-7-15-11(14-10)9-2-4-13-6-9/h7-9,12-13H,1-6H2
InChIKeyDATHFVDRGWFVDR-UHFFFAOYSA-N
XLogP1.30
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(pyrrolidin-3-yl)-1,3-thiazole?
The IUPAC name of 2,4-di(pyrrolidin-3-yl)-1,3-thiazole (CID 115034162) is 2,4-di(pyrrolidin-3-yl)-1,3-thiazole.
What is the SMILES notation for 2,4-di(pyrrolidin-3-yl)-1,3-thiazole?
The canonical SMILES for 2,4-di(pyrrolidin-3-yl)-1,3-thiazole is c1sc(C2CCNC2)nc1C1CCNC1.
What is the InChIKey of 2,4-di(pyrrolidin-3-yl)-1,3-thiazole?
The InChIKey is DATHFVDRGWFVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-3-12-5-8(1)10-7-15-11(14-10)9-2-4-13-6-9/h7-9,12-13H,1-6H2.
What are the key properties of 2,4-di(pyrrolidin-3-yl)-1,3-thiazole?
2,4-di(pyrrolidin-3-yl)-1,3-thiazole has a molecular weight of 223.34 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(pyrrolidin-3-yl)-1,3-thiazole is sourced from PubChem (CID 115034162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).