N-[(Z)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-N-methylmethanamine

C23H23N5S — CID 5466656

IUPACN-[(Z)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-N-methylmethanamine
SMILESC/C(=N/N(C)C)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C
InChIInChI=1S/C23H23N5S/c1-16-22(17(2)25-27(3)4)29-23(24-16)28-21(19-13-9-6-10-14-19)15-20(26-28)18-11-7-5-8-12-18/h5-15H,1-4H3/b25-17-
InChIKeyZERSWHDPHXVNTN-UQQQWYQISA-N
MW401.54 g/mol
LogP5.26
Rot. Bonds5

About N-[(Z)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-N-methylmethanamine

N-[(Z)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-N-methylmethanamine (PubChem CID 5466656) has the molecular formula C23H23N5S and a molecular weight of 401.54 g/mol. Its IUPAC name is N-[(Z)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(Z)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-N-methylmethanamine
PubChem CID5466656
Molecular FormulaC23H23N5S
Molecular Weight401.54 g/mol
Exact Mass401.17
IUPAC NameN-[(Z)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-N-methylmethanamine
SMILESC/C(=N/N(C)C)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C
InChIInChI=1S/C23H23N5S/c1-16-22(17(2)25-27(3)4)29-23(24-16)28-21(19-13-9-6-10-14-19)15-20(26-28)18-11-7-5-8-12-18/h5-15H,1-4H3/b25-17-
InChIKeyZERSWHDPHXVNTN-UQQQWYQISA-N
XLogP5.26
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(Z)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-N-methylmethanamine (CID 5466656) is N-[(Z)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(Z)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(Z)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-N-methylmethanamine is C/C(=N/N(C)C)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C.
What is the InChIKey of N-[(Z)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-N-methylmethanamine?
The InChIKey is ZERSWHDPHXVNTN-UQQQWYQISA-N. The full InChI is InChI=1S/C23H23N5S/c1-16-22(17(2)25-27(3)4)29-23(24-16)28-21(19-13-9-6-10-14-19)15-20(26-28)18-11-7-5-8-12-18/h5-15H,1-4H3/b25-17-.
What are the key properties of N-[(Z)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-N-methylmethanamine?
N-[(Z)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-N-methylmethanamine has a molecular weight of 401.54 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-N-methylmethanamine is sourced from PubChem (CID 5466656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).