3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol

C14H24N4OS — CID 70767666

IUPAC3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol
SMILESCc1nc(CN2CCN(CC3(O)CCNC3)CC2)cs1
InChIInChI=1S/C14H24N4OS/c1-12-16-13(9-20-12)8-17-4-6-18(7-5-17)11-14(19)2-3-15-10-14/h9,15,19H,2-8,10-11H2,1H3
InChIKeyVXQWAFKLHFMTNG-UHFFFAOYSA-N
MW296.44 g/mol
LogP0.29
Rot. Bonds4

About 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol

3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol (PubChem CID 70767666) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol
PubChem CID70767666
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol
SMILESCc1nc(CN2CCN(CC3(O)CCNC3)CC2)cs1
InChIInChI=1S/C14H24N4OS/c1-12-16-13(9-20-12)8-17-4-6-18(7-5-17)11-14(19)2-3-15-10-14/h9,15,19H,2-8,10-11H2,1H3
InChIKeyVXQWAFKLHFMTNG-UHFFFAOYSA-N
XLogP0.29
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol (CID 70767666) is 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol is Cc1nc(CN2CCN(CC3(O)CCNC3)CC2)cs1.
What is the InChIKey of 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol?
The InChIKey is VXQWAFKLHFMTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-12-16-13(9-20-12)8-17-4-6-18(7-5-17)11-14(19)2-3-15-10-14/h9,15,19H,2-8,10-11H2,1H3.
What are the key properties of 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol?
3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol has a molecular weight of 296.44 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 70767666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).