[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanamine

C11H15BrN4OS — CID 105184289

IUPAC[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCOCCn1ncc(Br)c1C(N)c1csc(C)n1
InChIInChI=1S/C11H15BrN4OS/c1-7-15-9(6-18-7)10(13)11-8(12)5-14-16(11)3-4-17-2/h5-6,10H,3-4,13H2,1-2H3
InChIKeyIZZHAZFRPPCLNB-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.11
Rot. Bonds5

About [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanamine

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 105184289) has the molecular formula C11H15BrN4OS and a molecular weight of 331.24 g/mol. Its IUPAC name is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID105184289
Molecular FormulaC11H15BrN4OS
Molecular Weight331.24 g/mol
Exact Mass330.01
IUPAC Name[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCOCCn1ncc(Br)c1C(N)c1csc(C)n1
InChIInChI=1S/C11H15BrN4OS/c1-7-15-9(6-18-7)10(13)11-8(12)5-14-16(11)3-4-17-2/h5-6,10H,3-4,13H2,1-2H3
InChIKeyIZZHAZFRPPCLNB-UHFFFAOYSA-N
XLogP2.11
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 105337332
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4,6-trimethylphenyl)methanamine
CID 105043004
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methanamine
CID 105043065
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dibromophenyl)methanamine
CID 107977548
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-4-methylphenyl)methanamine
CID 105042971
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-methylphenyl)methanamine
CID 107103101
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657527
2-[5-[amino-(2-methyl-1,3-thiazol-4-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105182393
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 114649830
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxy-3-methylphenyl)methanamine
CID 114659333
2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105336514
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-methoxyethoxy)ethanamine
CID 114032989

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 105184289) is [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanamine is COCCn1ncc(Br)c1C(N)c1csc(C)n1.
What is the InChIKey of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is IZZHAZFRPPCLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4OS/c1-7-15-9(6-18-7)10(13)11-8(12)5-14-16(11)3-4-17-2/h5-6,10H,3-4,13H2,1-2H3.
What are the key properties of [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanamine?
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 331.24 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 105184289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).