2-(4-methyl-5-phenyl-1,3-thiazole-2-carboximidoyl)aniline

C17H15N3S — CID 143017676

IUPAC2-(4-methyl-5-phenyl-1,3-thiazole-2-carboximidoyl)aniline
SMILES[H]/N=C(\c1nc(C)c(-c2ccccc2)s1)c1ccccc1N
InChIInChI=1S/C17H15N3S/c1-11-16(12-7-3-2-4-8-12)21-17(20-11)15(19)13-9-5-6-10-14(13)18/h2-10,19H,18H2,1H3/b19-15-
InChIKeyVASGXCJCHAMYDX-CYVLTUHYSA-N
MW293.39 g/mol
LogP4.12
Rot. Bonds3

About 2-(4-methyl-5-phenyl-1,3-thiazole-2-carboximidoyl)aniline

2-(4-methyl-5-phenyl-1,3-thiazole-2-carboximidoyl)aniline (PubChem CID 143017676) has the molecular formula C17H15N3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-(4-methyl-5-phenyl-1,3-thiazole-2-carboximidoyl)aniline.

Molecular Properties

Compound Name2-(4-methyl-5-phenyl-1,3-thiazole-2-carboximidoyl)aniline
PubChem CID143017676
Molecular FormulaC17H15N3S
Molecular Weight293.39 g/mol
Exact Mass293.10
IUPAC Name2-(4-methyl-5-phenyl-1,3-thiazole-2-carboximidoyl)aniline
SMILES[H]/N=C(\c1nc(C)c(-c2ccccc2)s1)c1ccccc1N
InChIInChI=1S/C17H15N3S/c1-11-16(12-7-3-2-4-8-12)21-17(20-11)15(19)13-9-5-6-10-14(13)18/h2-10,19H,18H2,1H3/b19-15-
InChIKeyVASGXCJCHAMYDX-CYVLTUHYSA-N
XLogP4.12
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-phenyl-1,3-thiazole-2-carboximidoyl)aniline?
The IUPAC name of 2-(4-methyl-5-phenyl-1,3-thiazole-2-carboximidoyl)aniline (CID 143017676) is 2-(4-methyl-5-phenyl-1,3-thiazole-2-carboximidoyl)aniline.
What is the SMILES notation for 2-(4-methyl-5-phenyl-1,3-thiazole-2-carboximidoyl)aniline?
The canonical SMILES for 2-(4-methyl-5-phenyl-1,3-thiazole-2-carboximidoyl)aniline is [H]/N=C(\c1nc(C)c(-c2ccccc2)s1)c1ccccc1N.
What is the InChIKey of 2-(4-methyl-5-phenyl-1,3-thiazole-2-carboximidoyl)aniline?
The InChIKey is VASGXCJCHAMYDX-CYVLTUHYSA-N. The full InChI is InChI=1S/C17H15N3S/c1-11-16(12-7-3-2-4-8-12)21-17(20-11)15(19)13-9-5-6-10-14(13)18/h2-10,19H,18H2,1H3/b19-15-.
What are the key properties of 2-(4-methyl-5-phenyl-1,3-thiazole-2-carboximidoyl)aniline?
2-(4-methyl-5-phenyl-1,3-thiazole-2-carboximidoyl)aniline has a molecular weight of 293.39 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-phenyl-1,3-thiazole-2-carboximidoyl)aniline is sourced from PubChem (CID 143017676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).