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

C21H22N6O2S — CID 142621118

IUPAC(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-morpholin-4-ylphenyl)triazol-4-yl]methanol
SMILESOC(c1cn(-c2ccc(N3CCOCC3)cc2)nn1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C21H22N6O2S/c28-20(19-21(14-1-2-14)30-18-11-22-13-26(18)19)17-12-27(24-23-17)16-5-3-15(4-6-16)25-7-9-29-10-8-25/h3-6,11-14,20,28H,1-2,7-10H2
InChIKeyTWFQOSMBLHNUGA-UHFFFAOYSA-N
MW422.51 g/mol
LogP2.77
Rot. Bonds5

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

(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-morpholin-4-ylphenyl)triazol-4-yl]methanol (PubChem CID 142621118) has the molecular formula C21H22N6O2S and a molecular weight of 422.51 g/mol. Its IUPAC name is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-morpholin-4-ylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-morpholin-4-ylphenyl)triazol-4-yl]methanol
PubChem CID142621118
Molecular FormulaC21H22N6O2S
Molecular Weight422.51 g/mol
Exact Mass422.15
IUPAC Name(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-morpholin-4-ylphenyl)triazol-4-yl]methanol
SMILESOC(c1cn(-c2ccc(N3CCOCC3)cc2)nn1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C21H22N6O2S/c28-20(19-21(14-1-2-14)30-18-11-22-13-26(18)19)17-12-27(24-23-17)16-5-3-15(4-6-16)25-7-9-29-10-8-25/h3-6,11-14,20,28H,1-2,7-10H2
InChIKeyTWFQOSMBLHNUGA-UHFFFAOYSA-N
XLogP2.77
TPSA80.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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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-morpholin-4-ylphenyl)triazol-4-yl]methanol?
The IUPAC name of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-morpholin-4-ylphenyl)triazol-4-yl]methanol (CID 142621118) is (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-morpholin-4-ylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-morpholin-4-ylphenyl)triazol-4-yl]methanol?
The canonical SMILES for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-morpholin-4-ylphenyl)triazol-4-yl]methanol is OC(c1cn(-c2ccc(N3CCOCC3)cc2)nn1)c1c(C2CC2)sc2cncn12.
What is the InChIKey of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-morpholin-4-ylphenyl)triazol-4-yl]methanol?
The InChIKey is TWFQOSMBLHNUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2S/c28-20(19-21(14-1-2-14)30-18-11-22-13-26(18)19)17-12-27(24-23-17)16-5-3-15(4-6-16)25-7-9-29-10-8-25/h3-6,11-14,20,28H,1-2,7-10H2.
What are the key properties of (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-morpholin-4-ylphenyl)triazol-4-yl]methanol?
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-morpholin-4-ylphenyl)triazol-4-yl]methanol has a molecular weight of 422.51 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-morpholin-4-ylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 142621118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).