(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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Related Compounds

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CID 151109135
US11267824, Example 181
CID 152187490
US11267824, Example 144
CID 152242725
US11267824, Example 61
CID 137499566
US11267824, Example 52
CID 137499577
US11267824, Example 54
CID 137499621
US11267824, Example 51
CID 137499632
US11267824, Example 59
CID 137499633
US11267824, Example 73
CID 137499639

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).