5-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine

C13H23N3S — CID 90889565

IUPAC5-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
SMILESCCC(C)c1cnc(NCCN2CCCC2)s1
InChIInChI=1S/C13H23N3S/c1-3-11(2)12-10-15-13(17-12)14-6-9-16-7-4-5-8-16/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyMNCPGFUOIDBQBR-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.16
Rot. Bonds6

About 5-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine

5-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine (PubChem CID 90889565) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
PubChem CID90889565
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name5-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
SMILESCCC(C)c1cnc(NCCN2CCCC2)s1
InChIInChI=1S/C13H23N3S/c1-3-11(2)12-10-15-13(17-12)14-6-9-16-7-4-5-8-16/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyMNCPGFUOIDBQBR-UHFFFAOYSA-N
XLogP3.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine (CID 90889565) is 5-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine is CCC(C)c1cnc(NCCN2CCCC2)s1.
What is the InChIKey of 5-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine?
The InChIKey is MNCPGFUOIDBQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-11(2)12-10-15-13(17-12)14-6-9-16-7-4-5-8-16/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 5-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine?
5-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 90889565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).