4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole

C10H13N3OS — CID 115753041

IUPAC4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole
SMILESCc1nc(COc2cnn(C)c2)sc1C
InChIInChI=1S/C10H13N3OS/c1-7-8(2)15-10(12-7)6-14-9-4-11-13(3)5-9/h4-5H,6H2,1-3H3
InChIKeyBNXPORDZXOMCHR-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.07
Rot. Bonds3

About 4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole

4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole (PubChem CID 115753041) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole
PubChem CID115753041
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole
SMILESCc1nc(COc2cnn(C)c2)sc1C
InChIInChI=1S/C10H13N3OS/c1-7-8(2)15-10(12-7)6-14-9-4-11-13(3)5-9/h4-5H,6H2,1-3H3
InChIKeyBNXPORDZXOMCHR-UHFFFAOYSA-N
XLogP2.07
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-ethylthiophen-2-yl)methoxy]-1-methylpyrazole
CID 116793938
1-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyrazole
CID 130558376
1-methyl-4-phenylmethoxypyrazole
CID 84661432
4-(furan-3-ylmethoxy)-1-methylpyrazole
CID 116793970
4-bromo-1,3-dimethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]pyrazole
CID 116794058
2-bromo-5-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzaldehyde
CID 81494161
(1R)-1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-fluorophenyl]ethanol
CID 107719981
2-[(1-methylpyrazol-4-yl)oxymethyl]pyridine
CID 116794145
4-(furan-2-ylmethoxy)-1-methylpyrazole
CID 116794087
2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole
CID 116794198
5-[(1-methylpyrazol-4-yl)oxymethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 116794038
4-[(2-methoxyphenyl)methoxy]-1-methylpyrazole
CID 116794197

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole (CID 115753041) is 4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole is Cc1nc(COc2cnn(C)c2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole?
The InChIKey is BNXPORDZXOMCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7-8(2)15-10(12-7)6-14-9-4-11-13(3)5-9/h4-5H,6H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole?
4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole has a molecular weight of 223.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole is sourced from PubChem (CID 115753041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).