N-(1-cyanocycloheptyl)-2-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide

C17H24N4O2S — CID 95156776

IUPACN-(1-cyanocycloheptyl)-2-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCO[C@@H](c3nccs3)C2)CCCCCC1
InChIInChI=1S/C17H24N4O2S/c18-13-17(5-3-1-2-4-6-17)20-15(22)12-21-8-9-23-14(11-21)16-19-7-10-24-16/h7,10,14H,1-6,8-9,11-12H2,(H,20,22)/t14-/m1/s1
InChIKeyKINFXOISQDLZEA-CQSZACIVSA-N
MW348.47 g/mol
LogP2.25
Rot. Bonds4

About N-(1-cyanocycloheptyl)-2-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide

N-(1-cyanocycloheptyl)-2-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide (PubChem CID 95156776) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide
PubChem CID95156776
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-(1-cyanocycloheptyl)-2-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCO[C@@H](c3nccs3)C2)CCCCCC1
InChIInChI=1S/C17H24N4O2S/c18-13-17(5-3-1-2-4-6-17)20-15(22)12-21-8-9-23-14(11-21)16-19-7-10-24-16/h7,10,14H,1-6,8-9,11-12H2,(H,20,22)/t14-/m1/s1
InChIKeyKINFXOISQDLZEA-CQSZACIVSA-N
XLogP2.25
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide (CID 95156776) is N-(1-cyanocycloheptyl)-2-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide is N#CC1(NC(=O)CN2CCO[C@@H](c3nccs3)C2)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide?
The InChIKey is KINFXOISQDLZEA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4O2S/c18-13-17(5-3-1-2-4-6-17)20-15(22)12-21-8-9-23-14(11-21)16-19-7-10-24-16/h7,10,14H,1-6,8-9,11-12H2,(H,20,22)/t14-/m1/s1.
What are the key properties of N-(1-cyanocycloheptyl)-2-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide?
N-(1-cyanocycloheptyl)-2-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide has a molecular weight of 348.47 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide is sourced from PubChem (CID 95156776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).