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

C12H22N2S — CID 82431222

IUPAC2-methyl-N-[(2-methyl-4-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCCc1nc(C)sc1CNCC(C)C
InChIInChI=1S/C12H22N2S/c1-5-6-11-12(15-10(4)14-11)8-13-7-9(2)3/h9,13H,5-8H2,1-4H3
InChIKeyVDSKMLGKZVLSFQ-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.15
Rot. Bonds6

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

2-methyl-N-[(2-methyl-4-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 82431222) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-4-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-4-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID82431222
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name2-methyl-N-[(2-methyl-4-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCCc1nc(C)sc1CNCC(C)C
InChIInChI=1S/C12H22N2S/c1-5-6-11-12(15-10(4)14-11)8-13-7-9(2)3/h9,13H,5-8H2,1-4H3
InChIKeyVDSKMLGKZVLSFQ-UHFFFAOYSA-N
XLogP3.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82432254
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpropan-1-amine
CID 115877032
N-cyclopentyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63514472
N-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine
CID 115987996
5-ethyl-2-methyl-4-propyl-1,3-thiazole
CID 588155
N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767142
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63941083
2-methyl-N-[(4-propan-2-yl-2-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82433844
N-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62766160
N-(3-methoxypropyl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63009443
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62769102
N-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436157

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-4-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-methyl-4-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine (CID 82431222) is 2-methyl-N-[(2-methyl-4-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyl-4-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-methyl-4-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine is CCCc1nc(C)sc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[(2-methyl-4-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is VDSKMLGKZVLSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-5-6-11-12(15-10(4)14-11)8-13-7-9(2)3/h9,13H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-[(2-methyl-4-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
2-methyl-N-[(2-methyl-4-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-4-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 82431222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).