N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine

C17H16N2S — CID 2441520

IUPACN-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCc1sc(NCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C17H16N2S/c1-13-16(15-10-6-3-7-11-15)19-17(20-13)18-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,18,19)
InChIKeyONXFQXKOJJHSDV-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.73
Rot. Bonds4

About N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine

N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 2441520) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID2441520
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC NameN-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCc1sc(NCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C17H16N2S/c1-13-16(15-10-6-3-7-11-15)19-17(20-13)18-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,18,19)
InChIKeyONXFQXKOJJHSDV-UHFFFAOYSA-N
XLogP4.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 130556985
5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide
CID 20558014
N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2462730
N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine;dihydrochloride
CID 18948824
2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid
CID 58791712
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
N-[(4-methoxyphenyl)methyl]-5-phenoxy-4-phenyl-1,3-thiazol-2-amine
CID 72706434
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 53387374
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid
CID 17373740
N-(butan-2-ylideneamino)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2878061

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine (CID 2441520) is N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine is Cc1sc(NCc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is ONXFQXKOJJHSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-13-16(15-10-6-3-7-11-15)19-17(20-13)18-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,18,19).
What are the key properties of N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine?
N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 280.40 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2441520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).