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

C10H18N2S — CID 60760021

IUPAC2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCc1nc(CCNCC(C)C)cs1
InChIInChI=1S/C10H18N2S/c1-8(2)6-11-5-4-10-7-13-9(3)12-10/h7-8,11H,4-6H2,1-3H3
InChIKeyDZIUGENBZMAAPA-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.24
Rot. Bonds5

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

2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine (PubChem CID 60760021) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
PubChem CID60760021
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCc1nc(CCNCC(C)C)cs1
InChIInChI=1S/C10H18N2S/c1-8(2)6-11-5-4-10-7-13-9(3)12-10/h7-8,11H,4-6H2,1-3H3
InChIKeyDZIUGENBZMAAPA-UHFFFAOYSA-N
XLogP2.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 106045224
2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoic acid
CID 106035939
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 106045227
3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 81033944
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine
CID 106045197
1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 106045106
4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485633
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile
CID 106045354
1-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethanol
CID 106045212
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-N-pentan-2-ylacetamide
CID 106045094
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]cyclopropan-1-amine
CID 106052386

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine (CID 60760021) is 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine is Cc1nc(CCNCC(C)C)cs1.
What is the InChIKey of 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The InChIKey is DZIUGENBZMAAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-8(2)6-11-5-4-10-7-13-9(3)12-10/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine has a molecular weight of 198.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 60760021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).