2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline

C18H18N2S — CID 28780978

IUPAC2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nc(CNc2ccccc2Cc2ccccc2)cs1
InChIInChI=1S/C18H18N2S/c1-14-20-17(13-21-14)12-19-18-10-6-5-9-16(18)11-15-7-3-2-4-8-15/h2-10,13,19H,11-12H2,1H3
InChIKeyAMKSKBRTDDYRDV-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.65
Rot. Bonds5

About 2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline

2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 28780978) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID28780978
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nc(CNc2ccccc2Cc2ccccc2)cs1
InChIInChI=1S/C18H18N2S/c1-14-20-17(13-21-14)12-19-18-10-6-5-9-16(18)11-15-7-3-2-4-8-15/h2-10,13,19H,11-12H2,1H3
InChIKeyAMKSKBRTDDYRDV-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28781106
2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 61281093
2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28878584
2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780822
2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine
CID 61285001
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
CID 62534041
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cinnolin-4-amine
CID 55214545
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid
CID 63377198
6-N-benzyl-5-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 42415438
4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine
CID 82475643
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 61284204

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (CID 28780978) is 2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is Cc1nc(CNc2ccccc2Cc2ccccc2)cs1.
What is the InChIKey of 2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is AMKSKBRTDDYRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-14-20-17(13-21-14)12-19-18-10-6-5-9-16(18)11-15-7-3-2-4-8-15/h2-10,13,19H,11-12H2,1H3.
What are the key properties of 2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 294.42 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 28780978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).