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

C9H13N5S — CID 114419873

IUPAC1-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]ethanamine
SMILESCc1csc(Cn2cc(C(C)N)nn2)n1
InChIInChI=1S/C9H13N5S/c1-6-5-15-9(11-6)4-14-3-8(7(2)10)12-13-14/h3,5,7H,4,10H2,1-2H3
InChIKeyGYOHAQAUTGXVAG-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.11
Rot. Bonds3

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

1-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]ethanamine (PubChem CID 114419873) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]ethanamine
PubChem CID114419873
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name1-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]ethanamine
SMILESCc1csc(Cn2cc(C(C)N)nn2)n1
InChIInChI=1S/C9H13N5S/c1-6-5-15-9(11-6)4-14-3-8(7(2)10)12-13-14/h3,5,7H,4,10H2,1-2H3
InChIKeyGYOHAQAUTGXVAG-UHFFFAOYSA-N
XLogP1.11
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]ethanamine
CID 114419756
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 114419523
1-[1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]triazol-4-yl]ethanamine
CID 114419689
1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanamine
CID 114419617
1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 114419645
1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine
CID 114420053
7-[[4-(1-aminoethyl)triazol-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 114419848
4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol
CID 114419757
1-[1-[(4-chlorophenyl)methyl]triazol-4-yl]ethanamine
CID 114419662
1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
CID 114419716
1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol
CID 114419408
1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 114420028

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]ethanamine (CID 114419873) is 1-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]ethanamine is Cc1csc(Cn2cc(C(C)N)nn2)n1.
What is the InChIKey of 1-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]ethanamine?
The InChIKey is GYOHAQAUTGXVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-6-5-15-9(11-6)4-14-3-8(7(2)10)12-13-14/h3,5,7H,4,10H2,1-2H3.
What are the key properties of 1-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]ethanamine?
1-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]ethanamine has a molecular weight of 223.30 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 114419873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).