N-[(Z)-[3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]chromen-2-ylidene]amino]aniline

C30H21N3OS — CID 6064024

IUPACN-[(Z)-[3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]chromen-2-ylidene]amino]aniline
SMILESc1ccc(N/N=c2\oc3ccccc3cc2-c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C30H21N3OS/c1-3-9-21(10-4-1)22-15-17-23(18-16-22)27-20-35-30(31-27)26-19-24-11-7-8-14-28(24)34-29(26)33-32-25-12-5-2-6-13-25/h1-20,32H/b33-29-
InChIKeyLYVVHTBXPAQVEE-IYOYZZHUSA-N
MW471.59 g/mol
LogP7.82
Rot. Bonds5

About N-[(Z)-[3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]chromen-2-ylidene]amino]aniline

N-[(Z)-[3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]chromen-2-ylidene]amino]aniline (PubChem CID 6064024) has the molecular formula C30H21N3OS and a molecular weight of 471.59 g/mol. Its IUPAC name is N-[(Z)-[3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]chromen-2-ylidene]amino]aniline.

Molecular Properties

Compound NameN-[(Z)-[3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]chromen-2-ylidene]amino]aniline
PubChem CID6064024
Molecular FormulaC30H21N3OS
Molecular Weight471.59 g/mol
Exact Mass471.14
IUPAC NameN-[(Z)-[3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]chromen-2-ylidene]amino]aniline
SMILESc1ccc(N/N=c2\oc3ccccc3cc2-c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C30H21N3OS/c1-3-9-21(10-4-1)22-15-17-23(18-16-22)27-20-35-30(31-27)26-19-24-11-7-8-14-28(24)34-29(26)33-32-25-12-5-2-6-13-25/h1-20,32H/b33-29-
InChIKeyLYVVHTBXPAQVEE-IYOYZZHUSA-N
XLogP7.82
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.59
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-imine
CID 951201
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)chromen-2-imine
CID 3537440
4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline
CID 43667812
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881374
N,3-diphenylchromen-2-imine
CID 135029902
3-[4-[4-[2,6-bis(2-oxochromen-3-yl)-4-pyridinyl]phenyl]-6-(2-oxochromen-3-yl)-2-pyridinyl]chromen-2-one
CID 155815853
N-[(Z)-[3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-hydroxychromen-2-ylidene]amino]-2-cyanoacetamide
CID 135641230
4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol
CID 169215045
3-[2-(2-benzhydrylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one
CID 4006186
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2715669
[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983781
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718079

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]chromen-2-ylidene]amino]aniline?
The IUPAC name of N-[(Z)-[3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]chromen-2-ylidene]amino]aniline (CID 6064024) is N-[(Z)-[3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]chromen-2-ylidene]amino]aniline.
What is the SMILES notation for N-[(Z)-[3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]chromen-2-ylidene]amino]aniline?
The canonical SMILES for N-[(Z)-[3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]chromen-2-ylidene]amino]aniline is c1ccc(N/N=c2\oc3ccccc3cc2-c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1.
What is the InChIKey of N-[(Z)-[3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]chromen-2-ylidene]amino]aniline?
The InChIKey is LYVVHTBXPAQVEE-IYOYZZHUSA-N. The full InChI is InChI=1S/C30H21N3OS/c1-3-9-21(10-4-1)22-15-17-23(18-16-22)27-20-35-30(31-27)26-19-24-11-7-8-14-28(24)34-29(26)33-32-25-12-5-2-6-13-25/h1-20,32H/b33-29-.
What are the key properties of N-[(Z)-[3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]chromen-2-ylidene]amino]aniline?
N-[(Z)-[3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]chromen-2-ylidene]amino]aniline has a molecular weight of 471.59 g/mol, XLogP of 7.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]chromen-2-ylidene]amino]aniline is sourced from PubChem (CID 6064024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).