4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-2-amine

C9H11BrN4S — CID 107463531

IUPAC4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCCc1nn(C)cc1Nc1nc(Br)cs1
InChIInChI=1S/C9H11BrN4S/c1-3-6-7(4-14(2)13-6)11-9-12-8(10)5-15-9/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyKWXQAWUZQNAEDZ-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.95
Rot. Bonds3

About 4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-2-amine

4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 107463531) has the molecular formula C9H11BrN4S and a molecular weight of 287.19 g/mol. Its IUPAC name is 4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID107463531
Molecular FormulaC9H11BrN4S
Molecular Weight287.19 g/mol
Exact Mass285.99
IUPAC Name4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCCc1nn(C)cc1Nc1nc(Br)cs1
InChIInChI=1S/C9H11BrN4S/c1-3-6-7(4-14(2)13-6)11-9-12-8(10)5-15-9/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyKWXQAWUZQNAEDZ-UHFFFAOYSA-N
XLogP2.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103908134
6-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 107463946
6-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)pyridin-2-amine
CID 107464291
5-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione
CID 107463844
N-(3-ethyl-1-methylpyrazol-4-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 107463509
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
N-(3-ethyl-1-methylpyrazol-4-yl)-6-methylpyridin-2-amine
CID 107463689
5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 107465162
N-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107463958
6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2,5-dimethylpyrimidin-4-amine
CID 107464313
2-N-(3-ethyl-1-methylpyrazol-4-yl)pyrazine-2,6-diamine
CID 107465113

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-2-amine (CID 107463531) is 4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-2-amine is CCc1nn(C)cc1Nc1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is KWXQAWUZQNAEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4S/c1-3-6-7(4-14(2)13-6)11-9-12-8(10)5-15-9/h4-5H,3H2,1-2H3,(H,11,12).
What are the key properties of 4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-2-amine?
4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 287.19 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107463531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).