2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol

C11H16N4OS — CID 62401873

IUPAC2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol
SMILESCC(C)c1nc(Cn2cc(CCO)nn2)cs1
InChIInChI=1S/C11H16N4OS/c1-8(2)11-12-10(7-17-11)6-15-5-9(3-4-16)13-14-15/h5,7-8,16H,3-4,6H2,1-2H3
InChIKeyXOXBDKQPUXARQB-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.44
Rot. Bonds5

About 2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol

2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol (PubChem CID 62401873) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol
PubChem CID62401873
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol
SMILESCC(C)c1nc(Cn2cc(CCO)nn2)cs1
InChIInChI=1S/C11H16N4OS/c1-8(2)11-12-10(7-17-11)6-15-5-9(3-4-16)13-14-15/h5,7-8,16H,3-4,6H2,1-2H3
InChIKeyXOXBDKQPUXARQB-UHFFFAOYSA-N
XLogP1.44
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol with MolForge

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Related Compounds

N-ethyl-N-[4-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 62399460
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 116642059
N-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 62401102
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193055
3-[1-[(2-acetamido-1,3-thiazol-4-yl)methyl]triazol-4-yl]propanoic acid
CID 107460976
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]acetic acid
CID 107461617
4-[[4-(bromomethyl)triazol-1-yl]methyl]-2-propyl-1,3-thiazole
CID 62400670
N-[4-[[4-(3-aminopropyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 106221282
2-[1-(2-ethylbutyl)triazol-4-yl]ethanol
CID 82929775
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66192160
2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]ethanol
CID 63019082
N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 62054638

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol (CID 62401873) is 2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol is CC(C)c1nc(Cn2cc(CCO)nn2)cs1.
What is the InChIKey of 2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol?
The InChIKey is XOXBDKQPUXARQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-8(2)11-12-10(7-17-11)6-15-5-9(3-4-16)13-14-15/h5,7-8,16H,3-4,6H2,1-2H3.
What are the key properties of 2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol?
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol has a molecular weight of 252.34 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 62401873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).