N-[[4-methyl-2-(2-methylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C12H20N2S — CID 65419578

IUPACN-[[4-methyl-2-(2-methylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(C2CC2C)sc1CNC(C)C
InChIInChI=1S/C12H20N2S/c1-7(2)13-6-11-9(4)14-12(15-11)10-5-8(10)3/h7-8,10,13H,5-6H2,1-4H3
InChIKeyRRZILUBWSQXJDY-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.07
Rot. Bonds4

About N-[[4-methyl-2-(2-methylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[4-methyl-2-(2-methylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 65419578) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[[4-methyl-2-(2-methylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(2-methylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID65419578
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[[4-methyl-2-(2-methylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(C2CC2C)sc1CNC(C)C
InChIInChI=1S/C12H20N2S/c1-7(2)13-6-11-9(4)14-12(15-11)10-5-8(10)3/h7-8,10,13H,5-6H2,1-4H3
InChIKeyRRZILUBWSQXJDY-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(2-methylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-2-(2-methylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 65419578) is N-[[4-methyl-2-(2-methylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-2-(2-methylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-2-(2-methylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1nc(C2CC2C)sc1CNC(C)C.
What is the InChIKey of N-[[4-methyl-2-(2-methylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is RRZILUBWSQXJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-7(2)13-6-11-9(4)14-12(15-11)10-5-8(10)3/h7-8,10,13H,5-6H2,1-4H3.
What are the key properties of N-[[4-methyl-2-(2-methylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-methyl-2-(2-methylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 224.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(2-methylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 65419578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).