5-[(Z)-2-[(2-aminophenyl)-diphenylmethyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide

C25H21N3OS2 — CID 141157815

IUPAC5-[(Z)-2-[(2-aminophenyl)-diphenylmethyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1ncsc1/C=C\SC(c1ccccc1)(c1ccccc1)c1ccccc1N
InChIInChI=1S/C25H21N3OS2/c26-21-14-8-7-13-20(21)25(18-9-3-1-4-10-18,19-11-5-2-6-12-19)31-16-15-22-23(24(27)29)28-17-30-22/h1-17H,26H2,(H2,27,29)/b16-15-
InChIKeyULNISRITLBDKOS-NXVVXOECSA-N
MW443.60 g/mol
LogP5.52
Rot. Bonds7

About 5-[(Z)-2-[(2-aminophenyl)-diphenylmethyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide

5-[(Z)-2-[(2-aminophenyl)-diphenylmethyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide (PubChem CID 141157815) has the molecular formula C25H21N3OS2 and a molecular weight of 443.60 g/mol. Its IUPAC name is 5-[(Z)-2-[(2-aminophenyl)-diphenylmethyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(Z)-2-[(2-aminophenyl)-diphenylmethyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide
PubChem CID141157815
Molecular FormulaC25H21N3OS2
Molecular Weight443.60 g/mol
Exact Mass443.11
IUPAC Name5-[(Z)-2-[(2-aminophenyl)-diphenylmethyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1ncsc1/C=C\SC(c1ccccc1)(c1ccccc1)c1ccccc1N
InChIInChI=1S/C25H21N3OS2/c26-21-14-8-7-13-20(21)25(18-9-3-1-4-10-18,19-11-5-2-6-12-19)31-16-15-22-23(24(27)29)28-17-30-22/h1-17H,26H2,(H2,27,29)/b16-15-
InChIKeyULNISRITLBDKOS-NXVVXOECSA-N
XLogP5.52
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.60
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

5-(2-tritylsulfanylethenyl)-1,3-thiazole-4-carboxamide
CID 68598433
methyl 5-[(E)-2-tritylsulfanylethenyl]-1,3-thiazole-4-carboxylate
CID 68598838
N-(cyanomethyl)-5-[(Z)-2-tritylsulfanylethenyl]-1,3-thiazole-4-carboxamide
CID 140552221
[5-[(E)-2-tritylsulfanylethenyl]-1,3-thiazol-4-yl]methanol
CID 68601369
5-(2-tritylsulfanylethenyl)-1,3-thiazole-2-carboxamide
CID 68601263
3-[diphenyl-[(Z)-2-(1,3-thiazol-2-yl)ethenyl]sulfanylmethyl]benzamide
CID 141157805
5-(2-phenylethenyl)-1,3-thiazole-4-carboxylic acid
CID 174437108
tert-butyl (Z)-3-tritylsulfanylprop-2-enoate
CID 5377061
5-(4-hydroxybut-1-enyl)-1,3-thiazole-4-carboxylic acid
CID 170476296
2-[bis(2-aminophenyl)-phenylmethyl]aniline
CID 18354124
5-[4-(methylamino)but-1-enyl]-1,3-thiazole-4-carboxylic acid
CID 170495505
5-(4-sulfanylbut-1-enyl)-1,3-thiazole-4-carboxylic acid
CID 170478054

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-[(2-aminophenyl)-diphenylmethyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(Z)-2-[(2-aminophenyl)-diphenylmethyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide (CID 141157815) is 5-[(Z)-2-[(2-aminophenyl)-diphenylmethyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(Z)-2-[(2-aminophenyl)-diphenylmethyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(Z)-2-[(2-aminophenyl)-diphenylmethyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide is NC(=O)c1ncsc1/C=C\SC(c1ccccc1)(c1ccccc1)c1ccccc1N.
What is the InChIKey of 5-[(Z)-2-[(2-aminophenyl)-diphenylmethyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ULNISRITLBDKOS-NXVVXOECSA-N. The full InChI is InChI=1S/C25H21N3OS2/c26-21-14-8-7-13-20(21)25(18-9-3-1-4-10-18,19-11-5-2-6-12-19)31-16-15-22-23(24(27)29)28-17-30-22/h1-17H,26H2,(H2,27,29)/b16-15-.
What are the key properties of 5-[(Z)-2-[(2-aminophenyl)-diphenylmethyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide?
5-[(Z)-2-[(2-aminophenyl)-diphenylmethyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 443.60 g/mol, XLogP of 5.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-[(2-aminophenyl)-diphenylmethyl]sulfanylethenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 141157815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).