N'-methyl-N-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide

C19H32N4OS — CID 119159671

IUPACN'-methyl-N-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
SMILESC/N=C(\NCc1nc(C(C)C)c(C)s1)N1CCCC2(CCCOC2)C1
InChIInChI=1S/C19H32N4OS/c1-14(2)17-15(3)25-16(22-17)11-21-18(20-4)23-9-5-7-19(12-23)8-6-10-24-13-19/h14H,5-13H2,1-4H3,(H,20,21)
InChIKeySYEGOZCKPDSXRV-UHFFFAOYSA-N
MW364.56 g/mol
LogP3.54
Rot. Bonds3

About N'-methyl-N-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide

N'-methyl-N-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide (PubChem CID 119159671) has the molecular formula C19H32N4OS and a molecular weight of 364.56 g/mol. Its IUPAC name is N'-methyl-N-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
PubChem CID119159671
Molecular FormulaC19H32N4OS
Molecular Weight364.56 g/mol
Exact Mass364.23
IUPAC NameN'-methyl-N-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
SMILESC/N=C(\NCc1nc(C(C)C)c(C)s1)N1CCCC2(CCCOC2)C1
InChIInChI=1S/C19H32N4OS/c1-14(2)17-15(3)25-16(22-17)11-21-18(20-4)23-9-5-7-19(12-23)8-6-10-24-13-19/h14H,5-13H2,1-4H3,(H,20,21)
InChIKeySYEGOZCKPDSXRV-UHFFFAOYSA-N
XLogP3.54
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide?
The IUPAC name of N'-methyl-N-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide (CID 119159671) is N'-methyl-N-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide?
The canonical SMILES for N'-methyl-N-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide is C/N=C(\NCc1nc(C(C)C)c(C)s1)N1CCCC2(CCCOC2)C1.
What is the InChIKey of N'-methyl-N-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide?
The InChIKey is SYEGOZCKPDSXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4OS/c1-14(2)17-15(3)25-16(22-17)11-21-18(20-4)23-9-5-7-19(12-23)8-6-10-24-13-19/h14H,5-13H2,1-4H3,(H,20,21).
What are the key properties of N'-methyl-N-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide?
N'-methyl-N-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide has a molecular weight of 364.56 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide is sourced from PubChem (CID 119159671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).