1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol

C11H16N4OS — CID 63026216

IUPAC1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N(C)Cc2nccn2C)s1
InChIInChI=1S/C11H16N4OS/c1-8(16)9-6-13-11(17-9)15(3)7-10-12-4-5-14(10)2/h4-6,8,16H,7H2,1-3H3
InChIKeyNUTPQSVGXUXYQG-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.57
Rot. Bonds4

About 1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol

1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 63026216) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol
PubChem CID63026216
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N(C)Cc2nccn2C)s1
InChIInChI=1S/C11H16N4OS/c1-8(16)9-6-13-11(17-9)15(3)7-10-12-4-5-14(10)2/h4-6,8,16H,7H2,1-3H3
InChIKeyNUTPQSVGXUXYQG-UHFFFAOYSA-N
XLogP1.57
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol (CID 63026216) is 1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(N(C)Cc2nccn2C)s1.
What is the InChIKey of 1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is NUTPQSVGXUXYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-8(16)9-6-13-11(17-9)15(3)7-10-12-4-5-14(10)2/h4-6,8,16H,7H2,1-3H3.
What are the key properties of 1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol?
1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 252.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 63026216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).