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

C11H15N5S — CID 66193207

IUPACN-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCc1nc(Cn2cc(CNC3CC3)nn2)cs1
InChIInChI=1S/C11H15N5S/c1-8-13-11(7-17-8)6-16-5-10(14-15-16)4-12-9-2-3-9/h5,7,9,12H,2-4,6H2,1H3
InChIKeyPLPDLNDKNAWGQU-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.34
Rot. Bonds5

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

N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 66193207) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID66193207
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC NameN-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCc1nc(Cn2cc(CNC3CC3)nn2)cs1
InChIInChI=1S/C11H15N5S/c1-8-13-11(7-17-8)6-16-5-10(14-15-16)4-12-9-2-3-9/h5,7,9,12H,2-4,6H2,1H3
InChIKeyPLPDLNDKNAWGQU-UHFFFAOYSA-N
XLogP1.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66192057
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193055
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 116642059
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194576
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192447
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194558
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967
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
N-[[1-[(4-ethylphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66194177
N-[(1-benzyltriazol-4-yl)methyl]cyclopropanamine
CID 66193410

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine (CID 66193207) is N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine is Cc1nc(Cn2cc(CNC3CC3)nn2)cs1.
What is the InChIKey of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is PLPDLNDKNAWGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-8-13-11(7-17-8)6-16-5-10(14-15-16)4-12-9-2-3-9/h5,7,9,12H,2-4,6H2,1H3.
What are the key properties of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 249.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66193207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).