N-phenyl-2-[(1S,5R)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide

C19H24N4OS — CID 72911265

IUPACN-phenyl-2-[(1S,5R)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
SMILESO=C(CN1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2)Nc1ccccc1
InChIInChI=1S/C19H24N4OS/c24-19(21-16-4-2-1-3-5-16)12-23-9-15-6-7-18(23)11-22(8-15)10-17-13-25-14-20-17/h1-5,13-15,18H,6-12H2,(H,21,24)/t15-,18+/m0/s1
InChIKeyZHJXAMPDCOKQRC-MAUKXSAKSA-N
MW356.49 g/mol
LogP2.68
Rot. Bonds5

About N-phenyl-2-[(1S,5R)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide

N-phenyl-2-[(1S,5R)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide (PubChem CID 72911265) has the molecular formula C19H24N4OS and a molecular weight of 356.49 g/mol. Its IUPAC name is N-phenyl-2-[(1S,5R)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[(1S,5R)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
PubChem CID72911265
Molecular FormulaC19H24N4OS
Molecular Weight356.49 g/mol
Exact Mass356.17
IUPAC NameN-phenyl-2-[(1S,5R)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
SMILESO=C(CN1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2)Nc1ccccc1
InChIInChI=1S/C19H24N4OS/c24-19(21-16-4-2-1-3-5-16)12-23-9-15-6-7-18(23)11-22(8-15)10-17-13-25-14-20-17/h1-5,13-15,18H,6-12H2,(H,21,24)/t15-,18+/m0/s1
InChIKeyZHJXAMPDCOKQRC-MAUKXSAKSA-N
XLogP2.68
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[(1S,5R)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The IUPAC name of N-phenyl-2-[(1S,5R)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide (CID 72911265) is N-phenyl-2-[(1S,5R)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[(1S,5R)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The canonical SMILES for N-phenyl-2-[(1S,5R)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide is O=C(CN1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[(1S,5R)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
The InChIKey is ZHJXAMPDCOKQRC-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H24N4OS/c24-19(21-16-4-2-1-3-5-16)12-23-9-15-6-7-18(23)11-22(8-15)10-17-13-25-14-20-17/h1-5,13-15,18H,6-12H2,(H,21,24)/t15-,18+/m0/s1.
What are the key properties of N-phenyl-2-[(1S,5R)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide?
N-phenyl-2-[(1S,5R)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide has a molecular weight of 356.49 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(1S,5R)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide is sourced from PubChem (CID 72911265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).