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

C18H17N5O2S — CID 142621420

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol
SMILESCOc1ccc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)cc1
InChIInChI=1S/C18H17N5O2S/c1-25-13-6-4-12(5-7-13)23-9-14(20-21-23)17(24)16-18(11-2-3-11)26-15-8-19-10-22(15)16/h4-11,17,24H,2-3H2,1H3
InChIKeySSQXJVUUSPLWCS-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.94
Rot. Bonds5

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

(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol (PubChem CID 142621420) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol
PubChem CID142621420
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol
SMILESCOc1ccc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)cc1
InChIInChI=1S/C18H17N5O2S/c1-25-13-6-4-12(5-7-13)23-9-14(20-21-23)17(24)16-18(11-2-3-11)26-15-8-19-10-22(15)16/h4-11,17,24H,2-3H2,1H3
InChIKeySSQXJVUUSPLWCS-UHFFFAOYSA-N
XLogP2.94
TPSA77.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol?
The IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol (CID 142621420) is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol.
What is the SMILES notation for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol?
The canonical SMILES for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol is COc1ccc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)cc1.
What is the InChIKey of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol?
The InChIKey is SSQXJVUUSPLWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-25-13-6-4-12(5-7-13)23-9-14(20-21-23)17(24)16-18(11-2-3-11)26-15-8-19-10-22(15)16/h4-11,17,24H,2-3H2,1H3.
What are the key properties of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol?
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol has a molecular weight of 367.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 142621420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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