1-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]-2-methylpropan-2-ol;ethane

C14H24ClN3OS — CID 177229867

IUPAC1-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]-2-methylpropan-2-ol;ethane
SMILESCC.CC.CC(C)(O)Cn1cc(-c2nc(Cl)cs2)cn1
InChIInChI=1S/C10H12ClN3OS.2C2H6/c1-10(2,15)6-14-4-7(3-12-14)9-13-8(11)5-16-9;2*1-2/h3-5,15H,6H2,1-2H3;2*1-2H3
InChIKeyXINKXIFXQCCYCG-UHFFFAOYSA-N
MW317.89 g/mol
LogP4.48
Rot. Bonds3

About 1-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]-2-methylpropan-2-ol;ethane

1-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]-2-methylpropan-2-ol;ethane (PubChem CID 177229867) has the molecular formula C14H24ClN3OS and a molecular weight of 317.89 g/mol. Its IUPAC name is 1-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]-2-methylpropan-2-ol;ethane.

Molecular Properties

Compound Name1-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]-2-methylpropan-2-ol;ethane
PubChem CID177229867
Molecular FormulaC14H24ClN3OS
Molecular Weight317.89 g/mol
Exact Mass317.13
IUPAC Name1-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]-2-methylpropan-2-ol;ethane
SMILESCC.CC.CC(C)(O)Cn1cc(-c2nc(Cl)cs2)cn1
InChIInChI=1S/C10H12ClN3OS.2C2H6/c1-10(2,15)6-14-4-7(3-12-14)9-13-8(11)5-16-9;2*1-2/h3-5,15H,6H2,1-2H3;2*1-2H3
InChIKeyXINKXIFXQCCYCG-UHFFFAOYSA-N
XLogP4.48
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.89
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]-2-methylpropan-2-ol;ethane?
The IUPAC name of 1-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]-2-methylpropan-2-ol;ethane (CID 177229867) is 1-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]-2-methylpropan-2-ol;ethane.
What is the SMILES notation for 1-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]-2-methylpropan-2-ol;ethane?
The canonical SMILES for 1-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]-2-methylpropan-2-ol;ethane is CC.CC.CC(C)(O)Cn1cc(-c2nc(Cl)cs2)cn1.
What is the InChIKey of 1-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]-2-methylpropan-2-ol;ethane?
The InChIKey is XINKXIFXQCCYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS.2C2H6/c1-10(2,15)6-14-4-7(3-12-14)9-13-8(11)5-16-9;2*1-2/h3-5,15H,6H2,1-2H3;2*1-2H3.
What are the key properties of 1-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]-2-methylpropan-2-ol;ethane?
1-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]-2-methylpropan-2-ol;ethane has a molecular weight of 317.89 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-1,3-thiazol-2-yl)pyrazol-1-yl]-2-methylpropan-2-ol;ethane is sourced from PubChem (CID 177229867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).