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

C20H21N5O2S — CID 142621199

IUPAC(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-ethyl-1-(4-methoxyphenyl)triazol-4-yl]methanol
SMILESCCc1c(C(O)c2c(C3CC3)sc3cncn23)nnn1-c1ccc(OC)cc1
InChIInChI=1S/C20H21N5O2S/c1-3-15-17(22-23-25(15)13-6-8-14(27-2)9-7-13)19(26)18-20(12-4-5-12)28-16-10-21-11-24(16)18/h6-12,19,26H,3-5H2,1-2H3
InChIKeyXXRFJRQPLWQYKD-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.51
Rot. Bonds6

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

(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-ethyl-1-(4-methoxyphenyl)triazol-4-yl]methanol (PubChem CID 142621199) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-ethyl-1-(4-methoxyphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-ethyl-1-(4-methoxyphenyl)triazol-4-yl]methanol
PubChem CID142621199
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-ethyl-1-(4-methoxyphenyl)triazol-4-yl]methanol
SMILESCCc1c(C(O)c2c(C3CC3)sc3cncn23)nnn1-c1ccc(OC)cc1
InChIInChI=1S/C20H21N5O2S/c1-3-15-17(22-23-25(15)13-6-8-14(27-2)9-7-13)19(26)18-20(12-4-5-12)28-16-10-21-11-24(16)18/h6-12,19,26H,3-5H2,1-2H3
InChIKeyXXRFJRQPLWQYKD-UHFFFAOYSA-N
XLogP3.51
TPSA77.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.51
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)-[5-ethyl-1-(4-methoxyphenyl)triazol-4-yl]methanol?
The IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-ethyl-1-(4-methoxyphenyl)triazol-4-yl]methanol (CID 142621199) is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-ethyl-1-(4-methoxyphenyl)triazol-4-yl]methanol.
What is the SMILES notation for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-ethyl-1-(4-methoxyphenyl)triazol-4-yl]methanol?
The canonical SMILES for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-ethyl-1-(4-methoxyphenyl)triazol-4-yl]methanol is CCc1c(C(O)c2c(C3CC3)sc3cncn23)nnn1-c1ccc(OC)cc1.
What is the InChIKey of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-ethyl-1-(4-methoxyphenyl)triazol-4-yl]methanol?
The InChIKey is XXRFJRQPLWQYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-3-15-17(22-23-25(15)13-6-8-14(27-2)9-7-13)19(26)18-20(12-4-5-12)28-16-10-21-11-24(16)18/h6-12,19,26H,3-5H2,1-2H3.
What are the key properties of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-ethyl-1-(4-methoxyphenyl)triazol-4-yl]methanol?
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[5-ethyl-1-(4-methoxyphenyl)triazol-4-yl]methanol has a molecular weight of 395.49 g/mol, XLogP of 3.51, 6 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)-[5-ethyl-1-(4-methoxyphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 142621199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).