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

C17H15N5OS — CID 142621196

IUPAC(R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(1-phenyltriazol-4-yl)methanol
SMILESO[C@@H](c1cn(-c2ccccc2)nn1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C17H15N5OS/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/h1-5,8-11,16,23H,6-7H2/t16-/m0/s1
InChIKeyUKUAOOUOSBGLGI-INIZCTEOSA-N
MW337.41 g/mol
LogP2.94
Rot. Bonds4

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

(R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(1-phenyltriazol-4-yl)methanol (PubChem CID 142621196) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is (R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(1-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(1-phenyltriazol-4-yl)methanol
PubChem CID142621196
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name(R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(1-phenyltriazol-4-yl)methanol
SMILESO[C@@H](c1cn(-c2ccccc2)nn1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C17H15N5OS/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/h1-5,8-11,16,23H,6-7H2/t16-/m0/s1
InChIKeyUKUAOOUOSBGLGI-INIZCTEOSA-N
XLogP2.94
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(1-phenyltriazol-4-yl)methanol?
The IUPAC name of (R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(1-phenyltriazol-4-yl)methanol (CID 142621196) is (R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(1-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(1-phenyltriazol-4-yl)methanol?
The canonical SMILES for (R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(1-phenyltriazol-4-yl)methanol is O[C@@H](c1cn(-c2ccccc2)nn1)c1c(C2CC2)sc2cncn12.
What is the InChIKey of (R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(1-phenyltriazol-4-yl)methanol?
The InChIKey is UKUAOOUOSBGLGI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15N5OS/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/h1-5,8-11,16,23H,6-7H2/t16-/m0/s1.
What are the key properties of (R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(1-phenyltriazol-4-yl)methanol?
(R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(1-phenyltriazol-4-yl)methanol has a molecular weight of 337.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(1-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 142621196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).