[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine

C15H16N4S — CID 114704846

IUPAC[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
SMILESCc1nc(Cn2cncc2C(N)c2ccccc2)cs1
InChIInChI=1S/C15H16N4S/c1-11-18-13(9-20-11)8-19-10-17-7-14(19)15(16)12-5-3-2-4-6-12/h2-7,9-10,15H,8,16H2,1H3
InChIKeyZMDRIDOJTMDPBE-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.74
Rot. Bonds4

About [3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine

[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine (PubChem CID 114704846) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is [3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine.

Molecular Properties

Compound Name[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
PubChem CID114704846
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
SMILESCc1nc(Cn2cncc2C(N)c2ccccc2)cs1
InChIInChI=1S/C15H16N4S/c1-11-18-13(9-20-11)8-19-10-17-7-14(19)15(16)12-5-3-2-4-6-12/h2-7,9-10,15H,8,16H2,1H3
InChIKeyZMDRIDOJTMDPBE-UHFFFAOYSA-N
XLogP2.74
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 106040980
N-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 114705602
N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]propan-2-amine
CID 114708165
[3-(2-methylsulfinylpropyl)imidazol-4-yl]-phenylmethanamine
CID 114707566
ethyl 4-[5-[amino(phenyl)methyl]imidazol-1-yl]butanoate
CID 114706337
(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 66134318
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine
CID 66404653
4-[(2,3-dimethylpyrrol-1-yl)methyl]-2-methyl-1,3-thiazole
CID 141136037
1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 114704901
[3-(1-ethylcyclobutyl)imidazol-4-yl]-phenylmethanamine
CID 114707422
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide
CID 104897686
[3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 114706842

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine?
The IUPAC name of [3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine (CID 114704846) is [3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine.
What is the SMILES notation for [3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine?
The canonical SMILES for [3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine is Cc1nc(Cn2cncc2C(N)c2ccccc2)cs1.
What is the InChIKey of [3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine?
The InChIKey is ZMDRIDOJTMDPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-11-18-13(9-20-11)8-19-10-17-7-14(19)15(16)12-5-3-2-4-6-12/h2-7,9-10,15H,8,16H2,1H3.
What are the key properties of [3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine?
[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine has a molecular weight of 284.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine is sourced from PubChem (CID 114704846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).