5-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]ethyl]-4-methyl-1,3-thiazole

C12H16ClN3OS — CID 60796740

IUPAC5-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]ethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCOCc1c(C)nn(C)c1Cl
InChIInChI=1S/C12H16ClN3OS/c1-8-10(12(13)16(3)15-8)6-17-5-4-11-9(2)14-7-18-11/h7H,4-6H2,1-3H3
InChIKeyCWZCIUMIQMVHFP-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.91
Rot. Bonds5

About 5-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]ethyl]-4-methyl-1,3-thiazole

5-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]ethyl]-4-methyl-1,3-thiazole (PubChem CID 60796740) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is 5-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]ethyl]-4-methyl-1,3-thiazole
PubChem CID60796740
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC Name5-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]ethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCOCc1c(C)nn(C)c1Cl
InChIInChI=1S/C12H16ClN3OS/c1-8-10(12(13)16(3)15-8)6-17-5-4-11-9(2)14-7-18-11/h7H,4-6H2,1-3H3
InChIKeyCWZCIUMIQMVHFP-UHFFFAOYSA-N
XLogP2.91
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole
CID 60796732
5-[2-[(6-chloropyridazin-3-yl)methoxy]ethyl]-4-methyl-1,3-thiazole
CID 104514129
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole
CID 79240432
5-chloro-4-(2-cyclopropylethoxymethyl)-1,3-dimethylpyrazole
CID 106201252
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanenitrile
CID 24697504
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
1-(3,4-dichlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62030972
1-(4-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62029259
N-ethyl-2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]ethanamine
CID 105349386
4-[(2-bromophenyl)methoxymethyl]-5-chloro-1,3-dimethylpyrazole
CID 82824380
5-chloro-4-[[2-(chloromethyl)phenoxy]methyl]-1,3-dimethylpyrazole
CID 113470016

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]ethyl]-4-methyl-1,3-thiazole (CID 60796740) is 5-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]ethyl]-4-methyl-1,3-thiazole is Cc1ncsc1CCOCc1c(C)nn(C)c1Cl.
What is the InChIKey of 5-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]ethyl]-4-methyl-1,3-thiazole?
The InChIKey is CWZCIUMIQMVHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3OS/c1-8-10(12(13)16(3)15-8)6-17-5-4-11-9(2)14-7-18-11/h7H,4-6H2,1-3H3.
What are the key properties of 5-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]ethyl]-4-methyl-1,3-thiazole?
5-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]ethyl]-4-methyl-1,3-thiazole has a molecular weight of 285.80 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 60796740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).