1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine

C10H17N3S — CID 106052386

IUPAC1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine
SMILESCc1nc(CCNCC2(N)CC2)cs1
InChIInChI=1S/C10H17N3S/c1-8-13-9(6-14-8)2-5-12-7-10(11)3-4-10/h6,12H,2-5,7,11H2,1H3
InChIKeyXEGJPOITZAIFMR-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.07
Rot. Bonds5

About 1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine

1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine (PubChem CID 106052386) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine
PubChem CID106052386
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine
SMILESCc1nc(CCNCC2(N)CC2)cs1
InChIInChI=1S/C10H17N3S/c1-8-13-9(6-14-8)2-5-12-7-10(11)3-4-10/h6,12H,2-5,7,11H2,1H3
InChIKeyXEGJPOITZAIFMR-UHFFFAOYSA-N
XLogP1.07
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
N-[(3-ethylpiperidin-3-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 114140857
2,2-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 106045224
4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485633
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 106045272
1-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]cyclohexan-1-amine
CID 64677705
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine
CID 106045197
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 106045227
1-(azepan-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanone
CID 106045404
1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 106038526
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 106045268
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 115435527

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine (CID 106052386) is 1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine is Cc1nc(CCNCC2(N)CC2)cs1.
What is the InChIKey of 1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine?
The InChIKey is XEGJPOITZAIFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-13-9(6-14-8)2-5-12-7-10(11)3-4-10/h6,12H,2-5,7,11H2,1H3.
What are the key properties of 1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine?
1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine has a molecular weight of 211.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine is sourced from PubChem (CID 106052386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).