1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol

C12H17N3OS — CID 114033904

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCc1nc(C)c(C(O)CCc2ccnn2C)s1
InChIInChI=1S/C12H17N3OS/c1-8-12(17-9(2)14-8)11(16)5-4-10-6-7-13-15(10)3/h6-7,11,16H,4-5H2,1-3H3
InChIKeyRXIBEGKJCNNTGR-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.16
Rot. Bonds4

About 1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol

1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol (PubChem CID 114033904) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
PubChem CID114033904
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCc1nc(C)c(C(O)CCc2ccnn2C)s1
InChIInChI=1S/C12H17N3OS/c1-8-12(17-9(2)14-8)11(16)5-4-10-6-7-13-15(10)3/h6-7,11,16H,4-5H2,1-3H3
InChIKeyRXIBEGKJCNNTGR-UHFFFAOYSA-N
XLogP2.16
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol 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

1-(4-ethylthiadiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027994
3-(2-methylpyrazol-3-yl)-1-pyridin-4-ylpropan-1-ol
CID 103005969
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol
CID 103008459
1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103005996
1-(2,5-dimethylfuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027962
3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol
CID 103008060
3-(2-methylpyrazol-3-yl)-1-naphthalen-1-ylpropan-1-ol
CID 103006025
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103028030
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008517

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol (CID 114033904) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol is Cc1nc(C)c(C(O)CCc2ccnn2C)s1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The InChIKey is RXIBEGKJCNNTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8-12(17-9(2)14-8)11(16)5-4-10-6-7-13-15(10)3/h6-7,11,16H,4-5H2,1-3H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol has a molecular weight of 251.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 114033904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).