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

C16H15N3OS — CID 110339348

IUPAC5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1ccc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)o1
InChIInChI=1S/C16H15N3OS/c1-11-8-9-14(20-11)10-17-19-16-18-15(12(2)21-16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,19)/b17-10+
InChIKeyOVUJMNVQPXNRHK-LICLKQGHSA-N
MW297.38 g/mol
LogP4.47
Rot. Bonds4

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

5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 110339348) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID110339348
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1ccc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)o1
InChIInChI=1S/C16H15N3OS/c1-11-8-9-14(20-11)10-17-19-16-18-15(12(2)21-16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,19)/b17-10+
InChIKeyOVUJMNVQPXNRHK-LICLKQGHSA-N
XLogP4.47
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 ≤ 54.47
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-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 112538638
5-methyl-N-[(E)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 110338681
N-[(E)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 96886431
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 112538684
5-methyl-N-[(2-nitrophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 4057416
N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 135719318
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110338310
4-(4-ethoxyphenyl)-N-[(E)-furan-2-ylmethylideneamino]-5-methyl-1,3-thiazol-2-amine
CID 6864771
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110530926
6-[(E)-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]cyclohexa-1,5-diene-1-carboxylic acid
CID 139518908
N-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110532113
N-[(4-chlorophenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 4150283

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 110339348) is 5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is Cc1ccc(/C=N/Nc2nc(-c3ccccc3)c(C)s2)o1.
What is the InChIKey of 5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is OVUJMNVQPXNRHK-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-8-9-14(20-11)10-17-19-16-18-15(12(2)21-16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,19)/b17-10+.
What are the key properties of 5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 297.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 110339348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).