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

C9H13N5S — CID 116642059

IUPAC2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine
SMILESCc1nc(Cn2cc(CCN)nn2)cs1
InChIInChI=1S/C9H13N5S/c1-7-11-9(6-15-7)5-14-4-8(2-3-10)12-13-14/h4,6H,2-3,5,10H2,1H3
InChIKeyBGSFTTFXJHHVOR-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.59
Rot. Bonds4

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

2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine (PubChem CID 116642059) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine
PubChem CID116642059
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine
SMILESCc1nc(Cn2cc(CCN)nn2)cs1
InChIInChI=1S/C9H13N5S/c1-7-11-9(6-15-7)5-14-4-8(2-3-10)12-13-14/h4,6H,2-3,5,10H2,1H3
InChIKeyBGSFTTFXJHHVOR-UHFFFAOYSA-N
XLogP0.59
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[[4-(methylsulfonylmethyl)triazol-1-yl]methyl]-1,3-thiazole
CID 166248045
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]acetic acid
CID 107461617
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193055
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193207
2-methyl-4-[[4-[(4-methylphenoxy)methyl]triazol-1-yl]methyl]-1,3-thiazole
CID 146135445
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanone
CID 130566930
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-1-amine
CID 106229143
2,2,2-trifluoro-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanone
CID 55092155
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol
CID 62401873
N-[4-[[4-(3-aminopropyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 106221282
2-(1-pentyltriazol-4-yl)ethanamine
CID 116641934
4-[[4-(bromomethyl)triazol-1-yl]methyl]-2-propyl-1,3-thiazole
CID 62400670

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine (CID 116642059) is 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine is Cc1nc(Cn2cc(CCN)nn2)cs1.
What is the InChIKey of 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine?
The InChIKey is BGSFTTFXJHHVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-7-11-9(6-15-7)5-14-4-8(2-3-10)12-13-14/h4,6H,2-3,5,10H2,1H3.
What are the key properties of 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine?
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine has a molecular weight of 223.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 116642059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).