1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine

C13H22N4S — CID 112641611

IUPAC1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(Cc3cncs3)C2)CC1
InChIInChI=1S/C13H22N4S/c14-11-1-5-17(6-2-11)12-3-4-16(8-12)9-13-7-15-10-18-13/h7,10-12H,1-6,8-9,14H2
InChIKeyUUFXTURCWYWUHO-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.14
Rot. Bonds3

About 1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine

1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 112641611) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
PubChem CID112641611
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(Cc3cncs3)C2)CC1
InChIInChI=1S/C13H22N4S/c14-11-1-5-17(6-2-11)12-3-4-16(8-12)9-13-7-15-10-18-13/h7,10-12H,1-6,8-9,14H2
InChIKeyUUFXTURCWYWUHO-UHFFFAOYSA-N
XLogP1.14
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine (CID 112641611) is 1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine is NC1CCN(C2CCN(Cc3cncs3)C2)CC1.
What is the InChIKey of 1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is UUFXTURCWYWUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c14-11-1-5-17(6-2-11)12-3-4-16(8-12)9-13-7-15-10-18-13/h7,10-12H,1-6,8-9,14H2.
What are the key properties of 1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine?
1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 266.41 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 112641611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).