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

C12H17N5S — CID 66192057

IUPACN-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCCc1nc(Cn2cc(CNC3CC3)nn2)cs1
InChIInChI=1S/C12H17N5S/c1-2-12-14-11(8-18-12)7-17-6-10(15-16-17)5-13-9-3-4-9/h6,8-9,13H,2-5,7H2,1H3
InChIKeyORLJMXLFADWZGJ-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.60
Rot. Bonds6

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

N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 66192057) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID66192057
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC NameN-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCCc1nc(Cn2cc(CNC3CC3)nn2)cs1
InChIInChI=1S/C12H17N5S/c1-2-12-14-11(8-18-12)7-17-6-10(15-16-17)5-13-9-3-4-9/h6,8-9,13H,2-5,7H2,1H3
InChIKeyORLJMXLFADWZGJ-UHFFFAOYSA-N
XLogP1.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193207
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66192160
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192578
N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194177
N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192447
N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193219
N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
CID 66193410
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine
CID 106228344
N-[[1-(quinolin-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66194383
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194576
N-[[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62440800
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine (CID 66192057) is N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine is CCc1nc(Cn2cc(CNC3CC3)nn2)cs1.
What is the InChIKey of N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is ORLJMXLFADWZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-2-12-14-11(8-18-12)7-17-6-10(15-16-17)5-13-9-3-4-9/h6,8-9,13H,2-5,7H2,1H3.
What are the key properties of N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 263.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66192057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).