3-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-5-methylphenol

C18H17N5O2S — CID 142621330

IUPAC3-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-5-methylphenol
SMILESCc1cc(O)cc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)c1
InChIInChI=1S/C18H17N5O2S/c1-10-4-12(6-13(24)5-10)23-8-14(20-21-23)17(25)16-18(11-2-3-11)26-15-7-19-9-22(15)16/h4-9,11,17,24-25H,2-3H2,1H3
InChIKeyIRIMDCYLBBHVKZ-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.95
Rot. Bonds4

About 3-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-5-methylphenol

3-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-5-methylphenol (PubChem CID 142621330) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-5-methylphenol.

Molecular Properties

Compound Name3-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-5-methylphenol
PubChem CID142621330
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name3-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-5-methylphenol
SMILESCc1cc(O)cc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)c1
InChIInChI=1S/C18H17N5O2S/c1-10-4-12(6-13(24)5-10)23-8-14(20-21-23)17(25)16-18(11-2-3-11)26-15-7-19-9-22(15)16/h4-9,11,17,24-25H,2-3H2,1H3
InChIKeyIRIMDCYLBBHVKZ-UHFFFAOYSA-N
XLogP2.95
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-5-methylphenol?
The IUPAC name of 3-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-5-methylphenol (CID 142621330) is 3-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-5-methylphenol.
What is the SMILES notation for 3-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-5-methylphenol?
The canonical SMILES for 3-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-5-methylphenol is Cc1cc(O)cc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)c1.
What is the InChIKey of 3-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-5-methylphenol?
The InChIKey is IRIMDCYLBBHVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-10-4-12(6-13(24)5-10)23-8-14(20-21-23)17(25)16-18(11-2-3-11)26-15-7-19-9-22(15)16/h4-9,11,17,24-25H,2-3H2,1H3.
What are the key properties of 3-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-5-methylphenol?
3-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-5-methylphenol has a molecular weight of 367.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-5-methylphenol is sourced from PubChem (CID 142621330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).