2-[1H-imidazol-2-ylmethyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]ethanol

C16H18N4OS — CID 135111454

IUPAC2-[1H-imidazol-2-ylmethyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]ethanol
SMILESOCCN(Cc1ncc[nH]1)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H18N4OS/c21-9-8-20(10-15-17-6-7-18-15)11-16-19-14(12-22-16)13-4-2-1-3-5-13/h1-7,12,21H,8-11H2,(H,17,18)
InChIKeyATYHJKYCABZOCQ-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.53
Rot. Bonds7

About 2-[1H-imidazol-2-ylmethyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]ethanol

2-[1H-imidazol-2-ylmethyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]ethanol (PubChem CID 135111454) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[1H-imidazol-2-ylmethyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[1H-imidazol-2-ylmethyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]ethanol
PubChem CID135111454
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name2-[1H-imidazol-2-ylmethyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]ethanol
SMILESOCCN(Cc1ncc[nH]1)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H18N4OS/c21-9-8-20(10-15-17-6-7-18-15)11-16-19-14(12-22-16)13-4-2-1-3-5-13/h1-7,12,21H,8-11H2,(H,17,18)
InChIKeyATYHJKYCABZOCQ-UHFFFAOYSA-N
XLogP2.53
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol
CID 130159418
formic acid;2-[1H-imidazol-2-ylmethyl-[(2-phenylmethoxyphenyl)methyl]amino]ethanol
CID 154917736
O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine
CID 39241198
2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 131905649
4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole
CID 31263387
4-(4-phenyl-1,3-thiazol-2-yl)but-2-yn-1-ol
CID 79817698
2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133370528
2-[3-(1H-imidazol-2-ylmethyl)indol-1-yl]-4-phenyl-1,3-thiazole;hydrochloride
CID 67905815
N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide
CID 73448477
2-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-phenyl-1,3-thiazole
CID 139068907
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 63928491
2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012

Frequently Asked Questions

What is the IUPAC name of 2-[1H-imidazol-2-ylmethyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[1H-imidazol-2-ylmethyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]ethanol (CID 135111454) is 2-[1H-imidazol-2-ylmethyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[1H-imidazol-2-ylmethyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[1H-imidazol-2-ylmethyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]ethanol is OCCN(Cc1ncc[nH]1)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[1H-imidazol-2-ylmethyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]ethanol?
The InChIKey is ATYHJKYCABZOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c21-9-8-20(10-15-17-6-7-18-15)11-16-19-14(12-22-16)13-4-2-1-3-5-13/h1-7,12,21H,8-11H2,(H,17,18).
What are the key properties of 2-[1H-imidazol-2-ylmethyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]ethanol?
2-[1H-imidazol-2-ylmethyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]ethanol has a molecular weight of 314.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-imidazol-2-ylmethyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 135111454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).