5-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazol-4-ol

C11H13N3OS — CID 90863470

IUPAC5-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazol-4-ol
SMILESCC(C)c1sc(Nc2ccccn2)nc1O
InChIInChI=1S/C11H13N3OS/c1-7(2)9-10(15)14-11(16-9)13-8-5-3-4-6-12-8/h3-7,15H,1-2H3,(H,12,13,14)
InChIKeyCYCUSVWZNQLMFX-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.11
Rot. Bonds3

About 5-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazol-4-ol

5-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazol-4-ol (PubChem CID 90863470) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazol-4-ol
PubChem CID90863470
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazol-4-ol
SMILESCC(C)c1sc(Nc2ccccn2)nc1O
InChIInChI=1S/C11H13N3OS/c1-7(2)9-10(15)14-11(16-9)13-8-5-3-4-6-12-8/h3-7,15H,1-2H3,(H,12,13,14)
InChIKeyCYCUSVWZNQLMFX-UHFFFAOYSA-N
XLogP3.11
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazol-4-ol?
The IUPAC name of 5-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazol-4-ol (CID 90863470) is 5-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazol-4-ol.
What is the SMILES notation for 5-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazol-4-ol?
The canonical SMILES for 5-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazol-4-ol is CC(C)c1sc(Nc2ccccn2)nc1O.
What is the InChIKey of 5-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazol-4-ol?
The InChIKey is CYCUSVWZNQLMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7(2)9-10(15)14-11(16-9)13-8-5-3-4-6-12-8/h3-7,15H,1-2H3,(H,12,13,14).
What are the key properties of 5-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazol-4-ol?
5-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazol-4-ol has a molecular weight of 235.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazol-4-ol is sourced from PubChem (CID 90863470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).