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

C8H10BrN5S — CID 106464896

IUPAC(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1ncsc1C(N)c1c(Br)nnn1C
InChIInChI=1S/C8H10BrN5S/c1-4-7(15-3-11-4)5(10)6-8(9)12-13-14(6)2/h3,5H,10H2,1-2H3
InChIKeyAGIFNMNEGGMPFF-UHFFFAOYSA-N
MW288.17 g/mol
LogP1.39
Rot. Bonds2

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

(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 106464896) has the molecular formula C8H10BrN5S and a molecular weight of 288.17 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID106464896
Molecular FormulaC8H10BrN5S
Molecular Weight288.17 g/mol
Exact Mass286.98
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1ncsc1C(N)c1c(Br)nnn1C
InChIInChI=1S/C8H10BrN5S/c1-4-7(15-3-11-4)5(10)6-8(9)12-13-14(6)2/h3,5H,10H2,1-2H3
InChIKeyAGIFNMNEGGMPFF-UHFFFAOYSA-N
XLogP1.39
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464575
(5-bromo-3-methyltriazol-4-yl)-(6-methyl-3-pyridinyl)methanamine
CID 106465360
(4-bromo-1-ethylpyrazol-5-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105182878
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-2-pyridinyl)methanamine
CID 106462380
(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 106464948
(5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine
CID 106464848
(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine
CID 106464783
(1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 103134636
(5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine
CID 106462222
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-2-pyridinyl)methanamine
CID 106462732
(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine
CID 106465277
(S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine
CID 10130445

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine (CID 106464896) is (5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine is Cc1ncsc1C(N)c1c(Br)nnn1C.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is AGIFNMNEGGMPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN5S/c1-4-7(15-3-11-4)5(10)6-8(9)12-13-14(6)2/h3,5H,10H2,1-2H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine?
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 288.17 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 106464896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).