(5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine

C9H10Br2N4S — CID 106464575

IUPAC(5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine
SMILESCc1cc(C(N)c2c(Br)nnn2C)sc1Br
InChIInChI=1S/C9H10Br2N4S/c1-4-3-5(16-9(4)11)6(12)7-8(10)13-14-15(7)2/h3,6H,12H2,1-2H3
InChIKeyCLXOXFUVSGZUQZ-UHFFFAOYSA-N
MW366.08 g/mol
LogP2.76
Rot. Bonds2

About (5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine

(5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine (PubChem CID 106464575) has the molecular formula C9H10Br2N4S and a molecular weight of 366.08 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine
PubChem CID106464575
Molecular FormulaC9H10Br2N4S
Molecular Weight366.08 g/mol
Exact Mass363.90
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine
SMILESCc1cc(C(N)c2c(Br)nnn2C)sc1Br
InChIInChI=1S/C9H10Br2N4S/c1-4-3-5(16-9(4)11)6(12)7-8(10)13-14-15(7)2/h3,6H,12H2,1-2H3
InChIKeyCLXOXFUVSGZUQZ-UHFFFAOYSA-N
XLogP2.76
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.08
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine
CID 106464848
1-(5-bromo-3-methyltriazol-4-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 106464716
(5-bromo-4-methylthiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanamine
CID 81156396
(5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine
CID 106462222
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 106464896
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997938
N-[(5-bromo-3-methyltriazol-4-yl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 106465234
(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine
CID 106465277
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine
CID 106462380
(5-bromo-3-methyltriazol-4-yl)-(2-chloro-4-methylphenyl)methanamine
CID 106858990
(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 106464948
(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine
CID 106464783

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine (CID 106464575) is (5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine is Cc1cc(C(N)c2c(Br)nnn2C)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine?
The InChIKey is CLXOXFUVSGZUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N4S/c1-4-3-5(16-9(4)11)6(12)7-8(10)13-14-15(7)2/h3,6H,12H2,1-2H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine?
(5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine has a molecular weight of 366.08 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 106464575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).