N-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide

C16H20N4OS — CID 54480757

IUPACN-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
SMILESCc1cn(C)c(=N/C(=N/c2ccccc2)N2CCOCC2)s1
InChIInChI=1S/C16H20N4OS/c1-13-12-19(2)16(22-13)18-15(20-8-10-21-11-9-20)17-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3/b17-15-,18-16?
InChIKeyXOVJHRCBANMAIU-KDJWOMGKSA-N
MW316.43 g/mol
LogP2.32
Rot. Bonds1

About N-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide

N-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide (PubChem CID 54480757) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
PubChem CID54480757
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide
SMILESCc1cn(C)c(=N/C(=N/c2ccccc2)N2CCOCC2)s1
InChIInChI=1S/C16H20N4OS/c1-13-12-19(2)16(22-13)18-15(20-8-10-21-11-9-20)17-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3/b17-15-,18-16?
InChIKeyXOVJHRCBANMAIU-KDJWOMGKSA-N
XLogP2.32
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.32
H-Bond Donors ≤ 50
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-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide?
The IUPAC name of N-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide (CID 54480757) is N-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide.
What is the SMILES notation for N-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide?
The canonical SMILES for N-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide is Cc1cn(C)c(=N/C(=N/c2ccccc2)N2CCOCC2)s1.
What is the InChIKey of N-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide?
The InChIKey is XOVJHRCBANMAIU-KDJWOMGKSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-13-12-19(2)16(22-13)18-15(20-8-10-21-11-9-20)17-14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3/b17-15-,18-16?.
What are the key properties of N-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide?
N-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide has a molecular weight of 316.43 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,3-thiazol-2-ylidene)-N'-phenylmorpholine-4-carboximidamide is sourced from PubChem (CID 54480757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).