(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine

C10H13BrN4S — CID 105182878

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1scnc1C
InChIInChI=1S/C10H13BrN4S/c1-3-15-9(7(11)4-14-15)8(12)10-6(2)13-5-16-10/h4-5,8H,3,12H2,1-2H3
InChIKeyQSZZGZLIJNZSSB-UHFFFAOYSA-N
MW301.21 g/mol
LogP2.48
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine

(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 105182878) has the molecular formula C10H13BrN4S and a molecular weight of 301.21 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID105182878
Molecular FormulaC10H13BrN4S
Molecular Weight301.21 g/mol
Exact Mass300.00
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCCn1ncc(Br)c1C(N)c1scnc1C
InChIInChI=1S/C10H13BrN4S/c1-3-15-9(7(11)4-14-15)8(12)10-6(2)13-5-16-10/h4-5,8H,3,12H2,1-2H3
InChIKeyQSZZGZLIJNZSSB-UHFFFAOYSA-N
XLogP2.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105182980
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105040396
(4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
CID 105040300
(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine
CID 105040106
(4-bromo-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105182910
(4-bromo-1-ethylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105039998
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
CID 107977457
(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
CID 114877972
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 106464896
[(4-bromo-1-methylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 105342123
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine
CID 114658333
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine
CID 114646776

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine (CID 105182878) is (4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine is CCn1ncc(Br)c1C(N)c1scnc1C.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is QSZZGZLIJNZSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4S/c1-3-15-9(7(11)4-14-15)8(12)10-6(2)13-5-16-10/h4-5,8H,3,12H2,1-2H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine?
(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 301.21 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 105182878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).