5-methyl-4-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine

C19H17N3S — CID 6873313

IUPAC5-methyl-4-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine
SMILESCc1sc(N/N=C/C=C/c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H17N3S/c1-15-18(17-12-6-3-7-13-17)21-19(23-15)22-20-14-8-11-16-9-4-2-5-10-16/h2-14H,1H3,(H,21,22)/b11-8+,20-14+
InChIKeyGGZSZJTUSVPRCE-BTXLNPSKSA-N
MW319.43 g/mol
LogP5.23
Rot. Bonds5

About 5-methyl-4-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine

5-methyl-4-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine (PubChem CID 6873313) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 5-methyl-4-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-4-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine
PubChem CID6873313
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name5-methyl-4-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine
SMILESCc1sc(N/N=C/C=C/c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H17N3S/c1-15-18(17-12-6-3-7-13-17)21-19(23-15)22-20-14-8-11-16-9-4-2-5-10-16/h2-14H,1H3,(H,21,22)/b11-8+,20-14+
InChIKeyGGZSZJTUSVPRCE-BTXLNPSKSA-N
XLogP5.23
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.43
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-methyl-4-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-4-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine (CID 6873313) is 5-methyl-4-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-4-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-4-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine is Cc1sc(N/N=C/C=C/c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine?
The InChIKey is GGZSZJTUSVPRCE-BTXLNPSKSA-N. The full InChI is InChI=1S/C19H17N3S/c1-15-18(17-12-6-3-7-13-17)21-19(23-15)22-20-14-8-11-16-9-4-2-5-10-16/h2-14H,1H3,(H,21,22)/b11-8+,20-14+.
What are the key properties of 5-methyl-4-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine?
5-methyl-4-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine has a molecular weight of 319.43 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine is sourced from PubChem (CID 6873313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).