4-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,3-thiazole

C11H15N3OS — CID 116805429

IUPAC4-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,3-thiazole
SMILESCc1csc(COc2cnn(C(C)C)c2)n1
InChIInChI=1S/C11H15N3OS/c1-8(2)14-5-10(4-12-14)15-6-11-13-9(3)7-16-11/h4-5,7-8H,6H2,1-3H3
InChIKeyFXFWUKBHRRSTLB-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.81
Rot. Bonds4

About 4-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,3-thiazole

4-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,3-thiazole (PubChem CID 116805429) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 4-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,3-thiazole
PubChem CID116805429
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name4-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,3-thiazole
SMILESCc1csc(COc2cnn(C(C)C)c2)n1
InChIInChI=1S/C11H15N3OS/c1-8(2)14-5-10(4-12-14)15-6-11-13-9(3)7-16-11/h4-5,7-8H,6H2,1-3H3
InChIKeyFXFWUKBHRRSTLB-UHFFFAOYSA-N
XLogP2.81
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 116803590
2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine
CID 116805488
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
N,N-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
CID 116805301
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline
CID 39205098
4-chloro-1,3-dimethyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyrazole
CID 116805241
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine
CID 114608538
[2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine
CID 116803596
4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole
CID 116805220
4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
CID 116805200
4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole
CID 116800947
N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094276

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,3-thiazole (CID 116805429) is 4-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,3-thiazole is Cc1csc(COc2cnn(C(C)C)c2)n1.
What is the InChIKey of 4-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,3-thiazole?
The InChIKey is FXFWUKBHRRSTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-8(2)14-5-10(4-12-14)15-6-11-13-9(3)7-16-11/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 4-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,3-thiazole?
4-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,3-thiazole has a molecular weight of 237.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,3-thiazole is sourced from PubChem (CID 116805429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).