2-[(1-methylimidazol-2-yl)methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol

C12H18N4OS — CID 91842004

IUPAC2-[(1-methylimidazol-2-yl)methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol
SMILESCc1nc(CN(CCO)Cc2nccn2C)cs1
InChIInChI=1S/C12H18N4OS/c1-10-14-11(9-18-10)7-16(5-6-17)8-12-13-3-4-15(12)2/h3-4,9,17H,5-8H2,1-2H3
InChIKeyJTCNIXMPMJTXLG-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.18
Rot. Bonds6

About 2-[(1-methylimidazol-2-yl)methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol

2-[(1-methylimidazol-2-yl)methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol (PubChem CID 91842004) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol
PubChem CID91842004
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-[(1-methylimidazol-2-yl)methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol
SMILESCc1nc(CN(CCO)Cc2nccn2C)cs1
InChIInChI=1S/C12H18N4OS/c1-10-14-11(9-18-10)7-16(5-6-17)8-12-13-3-4-15(12)2/h3-4,9,17H,5-8H2,1-2H3
InChIKeyJTCNIXMPMJTXLG-UHFFFAOYSA-N
XLogP1.18
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[(1-methylimidazol-2-yl)methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol (CID 91842004) is 2-[(1-methylimidazol-2-yl)methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol is Cc1nc(CN(CCO)Cc2nccn2C)cs1.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol?
The InChIKey is JTCNIXMPMJTXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-10-14-11(9-18-10)7-16(5-6-17)8-12-13-3-4-15(12)2/h3-4,9,17H,5-8H2,1-2H3.
What are the key properties of 2-[(1-methylimidazol-2-yl)methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol?
2-[(1-methylimidazol-2-yl)methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol has a molecular weight of 266.37 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 91842004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).