2-butan-2-yl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,3-thiazole;ethane

C15H23N3OS — CID 166087998

IUPAC2-butan-2-yl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,3-thiazole;ethane
SMILESCC.CCC(C)c1ncc(-c2cnn(C3COC3)c2)s1
InChIInChI=1S/C13H17N3OS.C2H6/c1-3-9(2)13-14-5-12(18-13)10-4-15-16(6-10)11-7-17-8-11;1-2/h4-6,9,11H,3,7-8H2,1-2H3;1-2H3
InChIKeyCZWRAEMSGKULOE-UHFFFAOYSA-N
MW293.44 g/mol
LogP4.12
Rot. Bonds4

About 2-butan-2-yl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,3-thiazole;ethane

2-butan-2-yl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,3-thiazole;ethane (PubChem CID 166087998) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-butan-2-yl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,3-thiazole;ethane.

Molecular Properties

Compound Name2-butan-2-yl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,3-thiazole;ethane
PubChem CID166087998
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-butan-2-yl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,3-thiazole;ethane
SMILESCC.CCC(C)c1ncc(-c2cnn(C3COC3)c2)s1
InChIInChI=1S/C13H17N3OS.C2H6/c1-3-9(2)13-14-5-12(18-13)10-4-15-16(6-10)11-7-17-8-11;1-2/h4-6,9,11H,3,7-8H2,1-2H3;1-2H3
InChIKeyCZWRAEMSGKULOE-UHFFFAOYSA-N
XLogP4.12
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-butan-2-yl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,3-thiazole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methylphenyl)-1-(oxetan-3-yl)pyrazole
CID 167820480
(5R)-5-methyl-2-[1-(oxetan-3-yl)pyrazol-4-yl]-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 169034179
2-[1-(oxetan-3-yl)pyrazol-4-yl]propanoic acid
CID 105449709
2-chloro-4-methoxy-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyridine
CID 170305651
2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine
CID 171627470
ethane;4-ethyl-1-(oxolan-3-yl)pyrazole
CID 164911737
ethane;4-methyl-1-(oxolan-3-yl)pyrazole
CID 143510060
5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyridin-2-amine
CID 56952561
2-[1-(oxolan-3-yl)pyrazol-4-yl]propan-1-amine
CID 105449225
5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 67224091
2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine
CID 141485782
4-methoxy-3-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine
CID 159386061

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,3-thiazole;ethane?
The IUPAC name of 2-butan-2-yl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,3-thiazole;ethane (CID 166087998) is 2-butan-2-yl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,3-thiazole;ethane.
What is the SMILES notation for 2-butan-2-yl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,3-thiazole;ethane?
The canonical SMILES for 2-butan-2-yl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,3-thiazole;ethane is CC.CCC(C)c1ncc(-c2cnn(C3COC3)c2)s1.
What is the InChIKey of 2-butan-2-yl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,3-thiazole;ethane?
The InChIKey is CZWRAEMSGKULOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS.C2H6/c1-3-9(2)13-14-5-12(18-13)10-4-15-16(6-10)11-7-17-8-11;1-2/h4-6,9,11H,3,7-8H2,1-2H3;1-2H3.
What are the key properties of 2-butan-2-yl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,3-thiazole;ethane?
2-butan-2-yl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,3-thiazole;ethane has a molecular weight of 293.44 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,3-thiazole;ethane is sourced from PubChem (CID 166087998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).