N'-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]morpholine-4-carboximidamide

C22H24N4O3S — CID 10002476

IUPACN'-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]morpholine-4-carboximidamide
SMILESCOc1ccc(-c2nc(/N=C(\N)N3CCOCC3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H24N4O3S/c1-27-17-7-3-15(4-8-17)19-20(16-5-9-18(28-2)10-6-16)30-22(24-19)25-21(23)26-11-13-29-14-12-26/h3-10H,11-14H2,1-2H3,(H2,23,24,25)
InChIKeyFHKJNKRUSQVUPM-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.77
Rot. Bonds5

About N'-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]morpholine-4-carboximidamide

N'-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]morpholine-4-carboximidamide (PubChem CID 10002476) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N'-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]morpholine-4-carboximidamide
PubChem CID10002476
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN'-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]morpholine-4-carboximidamide
SMILESCOc1ccc(-c2nc(/N=C(\N)N3CCOCC3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H24N4O3S/c1-27-17-7-3-15(4-8-17)19-20(16-5-9-18(28-2)10-6-16)30-22(24-19)25-21(23)26-11-13-29-14-12-26/h3-10H,11-14H2,1-2H3,(H2,23,24,25)
InChIKeyFHKJNKRUSQVUPM-UHFFFAOYSA-N
XLogP3.77
TPSA82.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]morpholine-4-carboximidamide?
The IUPAC name of N'-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]morpholine-4-carboximidamide (CID 10002476) is N'-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]morpholine-4-carboximidamide is COc1ccc(-c2nc(/N=C(\N)N3CCOCC3)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N'-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]morpholine-4-carboximidamide?
The InChIKey is FHKJNKRUSQVUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-27-17-7-3-15(4-8-17)19-20(16-5-9-18(28-2)10-6-16)30-22(24-19)25-21(23)26-11-13-29-14-12-26/h3-10H,11-14H2,1-2H3,(H2,23,24,25).
What are the key properties of N'-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]morpholine-4-carboximidamide?
N'-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]morpholine-4-carboximidamide has a molecular weight of 424.53 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]morpholine-4-carboximidamide is sourced from PubChem (CID 10002476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).