4-[[[(2S)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]methyl]benzamide

C19H24N4OS — CID 129466123

IUPAC4-[[[(2S)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(Cc2nccs2)[C@H]2CC23CCNCC3)cc1
InChIInChI=1S/C19H24N4OS/c20-18(24)15-3-1-14(2-4-15)12-23(13-17-22-9-10-25-17)16-11-19(16)5-7-21-8-6-19/h1-4,9-10,16,21H,5-8,11-13H2,(H2,20,24)/t16-/m0/s1
InChIKeyZCOMRDUXRMSICC-INIZCTEOSA-N
MW356.50 g/mol
LogP2.39
Rot. Bonds6

About 4-[[[(2S)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]methyl]benzamide

4-[[[(2S)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]methyl]benzamide (PubChem CID 129466123) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 4-[[[(2S)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[(2S)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]methyl]benzamide
PubChem CID129466123
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name4-[[[(2S)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(Cc2nccs2)[C@H]2CC23CCNCC3)cc1
InChIInChI=1S/C19H24N4OS/c20-18(24)15-3-1-14(2-4-15)12-23(13-17-22-9-10-25-17)16-11-19(16)5-7-21-8-6-19/h1-4,9-10,16,21H,5-8,11-13H2,(H2,20,24)/t16-/m0/s1
InChIKeyZCOMRDUXRMSICC-INIZCTEOSA-N
XLogP2.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(2S)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]methyl]benzamide?
The IUPAC name of 4-[[[(2S)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]methyl]benzamide (CID 129466123) is 4-[[[(2S)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[[(2S)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[[(2S)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]methyl]benzamide is NC(=O)c1ccc(CN(Cc2nccs2)[C@H]2CC23CCNCC3)cc1.
What is the InChIKey of 4-[[[(2S)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]methyl]benzamide?
The InChIKey is ZCOMRDUXRMSICC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4OS/c20-18(24)15-3-1-14(2-4-15)12-23(13-17-22-9-10-25-17)16-11-19(16)5-7-21-8-6-19/h1-4,9-10,16,21H,5-8,11-13H2,(H2,20,24)/t16-/m0/s1.
What are the key properties of 4-[[[(2S)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]methyl]benzamide?
4-[[[(2S)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]methyl]benzamide has a molecular weight of 356.50 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2S)-6-azaspiro[2.5]octan-2-yl]-(1,3-thiazol-2-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 129466123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).