2-[4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]pyrazol-1-yl]ethanol

C13H20N4OS — CID 110928797

IUPAC2-[4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]pyrazol-1-yl]ethanol
SMILESCC(C)(C)c1ncc(CNc2cnn(CCO)c2)s1
InChIInChI=1S/C13H20N4OS/c1-13(2,3)12-15-8-11(19-12)7-14-10-6-16-17(9-10)4-5-18/h6,8-9,14,18H,4-5,7H2,1-3H3
InChIKeyOPILHAGFJBIWPM-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.24
Rot. Bonds5

About 2-[4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]pyrazol-1-yl]ethanol

2-[4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]pyrazol-1-yl]ethanol (PubChem CID 110928797) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-[4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]pyrazol-1-yl]ethanol
PubChem CID110928797
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name2-[4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]pyrazol-1-yl]ethanol
SMILESCC(C)(C)c1ncc(CNc2cnn(CCO)c2)s1
InChIInChI=1S/C13H20N4OS/c1-13(2,3)12-15-8-11(19-12)7-14-10-6-16-17(9-10)4-5-18/h6,8-9,14,18H,4-5,7H2,1-3H3
InChIKeyOPILHAGFJBIWPM-UHFFFAOYSA-N
XLogP2.24
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]pyrazol-1-yl]ethanol (CID 110928797) is 2-[4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]pyrazol-1-yl]ethanol is CC(C)(C)c1ncc(CNc2cnn(CCO)c2)s1.
What is the InChIKey of 2-[4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]pyrazol-1-yl]ethanol?
The InChIKey is OPILHAGFJBIWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-13(2,3)12-15-8-11(19-12)7-14-10-6-16-17(9-10)4-5-18/h6,8-9,14,18H,4-5,7H2,1-3H3.
What are the key properties of 2-[4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]pyrazol-1-yl]ethanol?
2-[4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]pyrazol-1-yl]ethanol has a molecular weight of 280.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110928797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).