N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine

C16H15N3OS — CID 90666204

IUPACN-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1ccco1
InChIInChI=1S/C16H15N3OS/c1-11(14-9-6-10-20-14)18-19-16-17-15(12(2)21-16)13-7-4-3-5-8-13/h3-10H,1-2H3,(H,17,19)/b18-11+
InChIKeyQTDCCBOTVBEILQ-WOJGMQOQSA-N
MW297.38 g/mol
LogP4.55
Rot. Bonds4

About N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine

N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 90666204) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID90666204
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1ccco1
InChIInChI=1S/C16H15N3OS/c1-11(14-9-6-10-20-14)18-19-16-17-15(12(2)21-16)13-7-4-3-5-8-13/h3-10H,1-2H3,(H,17,19)/b18-11+
InChIKeyQTDCCBOTVBEILQ-WOJGMQOQSA-N
XLogP4.55
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_furan_A(6)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(butan-2-ylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2878061
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 954460
N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2441520
N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-methylaniline
CID 9014700
5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 110339348
5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide
CID 20558014
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 112538638
N-[(Z)-1-(furan-2-yl)ethylideneamino]phthalazin-1-amine
CID 6418050
2-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-prop-2-enylphenol
CID 135590896
4-(furan-2-yl)-5-methyl-2-phenyl-1,3-thiazole
CID 114275041

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine (CID 90666204) is N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine is C/C(=N\Nc1nc(-c2ccccc2)c(C)s1)c1ccco1.
What is the InChIKey of N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is QTDCCBOTVBEILQ-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11(14-9-6-10-20-14)18-19-16-17-15(12(2)21-16)13-7-4-3-5-8-13/h3-10H,1-2H3,(H,17,19)/b18-11+.
What are the key properties of N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine?
N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 297.38 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 90666204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).