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

C17H21N5OS — CID 151060612

IUPAC(1-cyclohexyltriazol-4-yl)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)methanol
SMILESOC(c1cn(C2CCCCC2)nn1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C17H21N5OS/c23-16(13-9-22(20-19-13)12-4-2-1-3-5-12)15-17(11-6-7-11)24-14-8-18-10-21(14)15/h8-12,16,23H,1-7H2
InChIKeyMGBVYKDCMRRUOU-UHFFFAOYSA-N
MW343.46 g/mol
LogP3.45
Rot. Bonds4

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

(1-cyclohexyltriazol-4-yl)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)methanol (PubChem CID 151060612) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is (1-cyclohexyltriazol-4-yl)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)methanol.

Molecular Properties

Compound Name(1-cyclohexyltriazol-4-yl)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)methanol
PubChem CID151060612
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name(1-cyclohexyltriazol-4-yl)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)methanol
SMILESOC(c1cn(C2CCCCC2)nn1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C17H21N5OS/c23-16(13-9-22(20-19-13)12-4-2-1-3-5-12)15-17(11-6-7-11)24-14-8-18-10-21(14)15/h8-12,16,23H,1-7H2
InChIKeyMGBVYKDCMRRUOU-UHFFFAOYSA-N
XLogP3.45
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyltriazol-4-yl)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)methanol?
The IUPAC name of (1-cyclohexyltriazol-4-yl)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)methanol (CID 151060612) is (1-cyclohexyltriazol-4-yl)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)methanol.
What is the SMILES notation for (1-cyclohexyltriazol-4-yl)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)methanol?
The canonical SMILES for (1-cyclohexyltriazol-4-yl)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)methanol is OC(c1cn(C2CCCCC2)nn1)c1c(C2CC2)sc2cncn12.
What is the InChIKey of (1-cyclohexyltriazol-4-yl)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)methanol?
The InChIKey is MGBVYKDCMRRUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c23-16(13-9-22(20-19-13)12-4-2-1-3-5-12)15-17(11-6-7-11)24-14-8-18-10-21(14)15/h8-12,16,23H,1-7H2.
What are the key properties of (1-cyclohexyltriazol-4-yl)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)methanol?
(1-cyclohexyltriazol-4-yl)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)methanol has a molecular weight of 343.46 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyltriazol-4-yl)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)methanol is sourced from PubChem (CID 151060612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).