1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine

C11H17N5S — CID 106228344

IUPAC1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine
SMILESCCc1nc(Cn2cc(C(N)CC)nn2)cs1
InChIInChI=1S/C11H17N5S/c1-3-9(12)10-6-16(15-14-10)5-8-7-17-11(4-2)13-8/h6-7,9H,3-5,12H2,1-2H3
InChIKeyZUHBRWIMNUNASD-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.76
Rot. Bonds5

About 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine

1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine (PubChem CID 106228344) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine
PubChem CID106228344
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine
SMILESCCc1nc(Cn2cc(C(N)CC)nn2)cs1
InChIInChI=1S/C11H17N5S/c1-3-9(12)10-6-16(15-14-10)5-8-7-17-11(4-2)13-8/h6-7,9H,3-5,12H2,1-2H3
InChIKeyZUHBRWIMNUNASD-UHFFFAOYSA-N
XLogP1.76
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-1-amine
CID 106229143
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66192160
4-[[4-(diethoxymethyl)triazol-1-yl]methyl]-2-propyl-1,3-thiazole
CID 66215759
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192578
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227470
7-[[4-(1-aminopropyl)triazol-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 106228127
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66192057
[4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol
CID 106227746
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine
CID 114160964
1-[1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]triazol-4-yl]ethanamine
CID 114419689
1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 114160986
1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine
CID 106228352

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine (CID 106228344) is 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine is CCc1nc(Cn2cc(C(N)CC)nn2)cs1.
What is the InChIKey of 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine?
The InChIKey is ZUHBRWIMNUNASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-3-9(12)10-6-16(15-14-10)5-8-7-17-11(4-2)13-8/h6-7,9H,3-5,12H2,1-2H3.
What are the key properties of 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine?
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine has a molecular weight of 251.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106228344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).