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

C19H17N3S — CID 70688718

IUPACN-[(E)-(5-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1ccc2c(c1)CC/C2=N\Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H17N3S/c1-13-7-9-16-15(11-13)8-10-17(16)21-22-19-20-18(12-23-19)14-5-3-2-4-6-14/h2-7,9,11-12H,8,10H2,1H3,(H,20,22)/b21-17+
InChIKeyNDSDDRQWURUHAM-HEHNFIMWSA-N
MW319.43 g/mol
LogP4.88
Rot. Bonds3

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

N-[(E)-(5-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 70688718) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(E)-(5-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(5-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID70688718
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC NameN-[(E)-(5-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1ccc2c(c1)CC/C2=N\Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H17N3S/c1-13-7-9-16-15(11-13)8-10-17(16)21-22-19-20-18(12-23-19)14-5-3-2-4-6-14/h2-7,9,11-12H,8,10H2,1H3,(H,20,22)/b21-17+
InChIKeyNDSDDRQWURUHAM-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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-(5-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine (CID 70688718) is N-[(E)-(5-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-(5-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-(5-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine is Cc1ccc2c(c1)CC/C2=N\Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[(E)-(5-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is NDSDDRQWURUHAM-HEHNFIMWSA-N. The full InChI is InChI=1S/C19H17N3S/c1-13-7-9-16-15(11-13)8-10-17(16)21-22-19-20-18(12-23-19)14-5-3-2-4-6-14/h2-7,9,11-12H,8,10H2,1H3,(H,20,22)/b21-17+.
What are the key properties of N-[(E)-(5-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
N-[(E)-(5-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)-(5-methyl-2,3-dihydroinden-1-ylidene)amino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 70688718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).