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

C9H18N2S — CID 89161636

IUPAC2-methyl-N-[(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCC1=NC(CNCC(C)C)CS1
InChIInChI=1S/C9H18N2S/c1-7(2)4-10-5-9-6-12-8(3)11-9/h7,9-10H,4-6H2,1-3H3
InChIKeyZMSDLOKHQCXKPJ-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.77
Rot. Bonds4

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

2-methyl-N-[(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)methyl]propan-1-amine (PubChem CID 89161636) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)methyl]propan-1-amine
PubChem CID89161636
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name2-methyl-N-[(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCC1=NC(CNCC(C)C)CS1
InChIInChI=1S/C9H18N2S/c1-7(2)4-10-5-9-6-12-8(3)11-9/h7,9-10H,4-6H2,1-3H3
InChIKeyZMSDLOKHQCXKPJ-UHFFFAOYSA-N
XLogP1.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)propanamide
CID 166726031
2-methyl-N-[[2-(2-methylpropyl)cyclopropyl]methyl]propan-1-amine
CID 62713714
2-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 60985078
methyl (2S)-3-methyl-2-[[methyl-[(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoate
CID 71039174
2-methyl-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine
CID 104771672
N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81034112
CID 175939227
CID 175939227
4-[(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 70274867
N-(2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61247555
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
N-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine
CID 64999747
2-methyl-N-(thian-2-ylmethyl)propan-1-amine
CID 80593621

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)methyl]propan-1-amine (CID 89161636) is 2-methyl-N-[(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)methyl]propan-1-amine is CC1=NC(CNCC(C)C)CS1.
What is the InChIKey of 2-methyl-N-[(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)methyl]propan-1-amine?
The InChIKey is ZMSDLOKHQCXKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-7(2)4-10-5-9-6-12-8(3)11-9/h7,9-10H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)methyl]propan-1-amine?
2-methyl-N-[(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)methyl]propan-1-amine has a molecular weight of 186.32 g/mol, XLogP of 1.77, 4 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-4,5-dihydro-1,3-thiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 89161636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).