1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine

C10H15N5S — CID 103907022

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCc1nc(C(C)NCc2ncn(C)n2)cs1
InChIInChI=1S/C10H15N5S/c1-7(9-5-16-8(2)13-9)11-4-10-12-6-15(3)14-10/h5-7,11H,4H2,1-3H3
InChIKeyRWUSQUVGDKGWKX-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.43
Rot. Bonds4

About 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine

1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 103907022) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID103907022
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCc1nc(C(C)NCc2ncn(C)n2)cs1
InChIInChI=1S/C10H15N5S/c1-7(9-5-16-8(2)13-9)11-4-10-12-6-15(3)14-10/h5-7,11H,4H2,1-3H3
InChIKeyRWUSQUVGDKGWKX-UHFFFAOYSA-N
XLogP1.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(5-methylfuran-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 115897285
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103851647
1-(3-methylpyrazin-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 102613114
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylethanamine
CID 115880292
1-(2-methylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 103882358
[4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 104579447
N-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670104
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 115405653
(1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 92763777
1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459875
1-cyclopropyl-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 115897334

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 103907022) is 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is Cc1nc(C(C)NCc2ncn(C)n2)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is RWUSQUVGDKGWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-7(9-5-16-8(2)13-9)11-4-10-12-6-15(3)14-10/h5-7,11H,4H2,1-3H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 237.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 103907022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).