N-benzyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine

C17H16N2OS — CID 4806345

IUPACN-benzyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1-c1csc(NCc2ccccc2)n1
InChIInChI=1S/C17H16N2OS/c1-20-16-10-6-5-9-14(16)15-12-21-17(19-15)18-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyPEWZUDOEYOLBII-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.43
Rot. Bonds5

About N-benzyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine

N-benzyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 4806345) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is N-benzyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID4806345
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC NameN-benzyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1-c1csc(NCc2ccccc2)n1
InChIInChI=1S/C17H16N2OS/c1-20-16-10-6-5-9-14(16)15-12-21-17(19-15)18-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyPEWZUDOEYOLBII-UHFFFAOYSA-N
XLogP4.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Abafungin
CID 159326
2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
4-(4-Phenoxy-phenyl)-thiazol-2-ylamine
CID 780598
4-(2-Methoxy-phenyl)-thiazol-2-ylamine
CID 735252
4-(3-Fluoro-4-methoxyphenyl)-2-thiazolamine
CID 2759006
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
CID 3780371
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
N-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 1548457
2-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-4-phenyl-1,3-thiazole
CID 5710390
4-[3-(Trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 2760731
4-(2,5-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
4-{4-[(4-Methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine
CID 145704648

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine (CID 4806345) is N-benzyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccccc1-c1csc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is PEWZUDOEYOLBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-20-16-10-6-5-9-14(16)15-12-21-17(19-15)18-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,18,19).
What are the key properties of N-benzyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine?
N-benzyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 296.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4806345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).