5-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole

C17H28N4S — CID 124729601

IUPAC5-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
SMILESC[C@H]1CCCCN1C1CN(Cc2cnc(N3CCCC3)s2)C1
InChIInChI=1S/C17H28N4S/c1-14-6-2-3-9-21(14)15-11-19(12-15)13-16-10-18-17(22-16)20-7-4-5-8-20/h10,14-15H,2-9,11-13H2,1H3/t14-/m0/s1
InChIKeyNWISWTKTDNOPCG-AWEZNQCLSA-N
MW320.51 g/mol
LogP2.80
Rot. Bonds4

About 5-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole

5-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 124729601) has the molecular formula C17H28N4S and a molecular weight of 320.51 g/mol. Its IUPAC name is 5-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
PubChem CID124729601
Molecular FormulaC17H28N4S
Molecular Weight320.51 g/mol
Exact Mass320.20
IUPAC Name5-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
SMILESC[C@H]1CCCCN1C1CN(Cc2cnc(N3CCCC3)s2)C1
InChIInChI=1S/C17H28N4S/c1-14-6-2-3-9-21(14)15-11-19(12-15)13-16-10-18-17(22-16)20-7-4-5-8-20/h10,14-15H,2-9,11-13H2,1H3/t14-/m0/s1
InChIKeyNWISWTKTDNOPCG-AWEZNQCLSA-N
XLogP2.80
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 5-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole (CID 124729601) is 5-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 5-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole is C[C@H]1CCCCN1C1CN(Cc2cnc(N3CCCC3)s2)C1.
What is the InChIKey of 5-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is NWISWTKTDNOPCG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4S/c1-14-6-2-3-9-21(14)15-11-19(12-15)13-16-10-18-17(22-16)20-7-4-5-8-20/h10,14-15H,2-9,11-13H2,1H3/t14-/m0/s1.
What are the key properties of 5-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
5-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 320.51 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 124729601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).