N-[(E)-(4-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine

C19H17N3S — CID 70684471

IUPACN-[(E)-(4-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1cccc2c1CC/C2=N\Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H17N3S/c1-13-6-5-9-16-15(13)10-11-17(16)21-22-19-20-18(12-23-19)14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,20,22)/b21-17+
InChIKeyNBOZTLQOGNJFJN-HEHNFIMWSA-N
MW319.43 g/mol
LogP4.88
Rot. Bonds3

About N-[(E)-(4-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine

N-[(E)-(4-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 70684471) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(E)-(4-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(4-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID70684471
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC NameN-[(E)-(4-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1cccc2c1CC/C2=N\Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H17N3S/c1-13-6-5-9-16-15(13)10-11-17(16)21-22-19-20-18(12-23-19)14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,20,22)/b21-17+
InChIKeyNBOZTLQOGNJFJN-HEHNFIMWSA-N
XLogP4.88
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.88
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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Related Compounds

4-(4-Cyanophenyl)-2-(2-cyclopentylidenehydrazinyl)thiazole
CID 44442376
2-Amino-4-(4-biphenylyl)thiazole
CID 76075
4-(2-Naphthyl)-1,3-thiazol-2-amine
CID 673702
4-(2-Methylphenyl)-1,3-thiazol-2-amine
CID 220174
2-Hydrazinyl-4-phenylthiazole
CID 98613
4-(4-Benzylphenyl)thiazol-2-amine
CID 3768902
2-(2-Cyclopentylidenehydrazinyl)-4-phenylthiazole
CID 584447
(E)-2-(2-(3, 4-difluorobenzylidene)hydrazinyl)-4-(4-(trifluoromethyl)phenyl)thiazole
CID 155542324
4-m-Tolyl-thiazol-2-ylamine
CID 220170
4-(2,4-Dimethylphenyl)-1,3-thiazol-2(3H)-imine
CID 673685
2-Amino-4-(5,6,7,8-tetrahydro-2-naphthyl)thiazole
CID 735091
4-(Naphthalen-1-yl)-2-aminothiazole
CID 151342

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-(4-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine (CID 70684471) is N-[(E)-(4-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-(4-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-(4-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine is Cc1cccc2c1CC/C2=N\Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[(E)-(4-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is NBOZTLQOGNJFJN-HEHNFIMWSA-N. The full InChI is InChI=1S/C19H17N3S/c1-13-6-5-9-16-15(13)10-11-17(16)21-22-19-20-18(12-23-19)14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,20,22)/b21-17+.
What are the key properties of N-[(E)-(4-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
N-[(E)-(4-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 319.43 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 70684471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).