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

C11H20N2S — CID 116965082

IUPAC2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCC(C)Cc1csc(CC(C)CN)n1
InChIInChI=1S/C11H20N2S/c1-8(2)4-10-7-14-11(13-10)5-9(3)6-12/h7-9H,4-6,12H2,1-3H3
InChIKeyMDPYEJHNZMBLFG-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.48
Rot. Bonds5

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

2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 116965082) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
PubChem CID116965082
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCC(C)Cc1csc(CC(C)CN)n1
InChIInChI=1S/C11H20N2S/c1-8(2)4-10-7-14-11(13-10)5-9(3)6-12/h7-9H,4-6,12H2,1-3H3
InChIKeyMDPYEJHNZMBLFG-UHFFFAOYSA-N
XLogP2.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butan-1-amine
CID 116969696
2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
CID 116965203
methyl 3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butanoate
CID 116969733
ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 142312130
2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide
CID 149175653
4-(2-methylpropyl)-2-undecyl-1,3-thiazole
CID 122184889
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine
CID 116888387
1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine
CID 64544064
1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine
CID 62652679
3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 116965093
N-methyl-4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 59665191
2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine
CID 116898246

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine (CID 116965082) is 2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine is CC(C)Cc1csc(CC(C)CN)n1.
What is the InChIKey of 2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is MDPYEJHNZMBLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-8(2)4-10-7-14-11(13-10)5-9(3)6-12/h7-9H,4-6,12H2,1-3H3.
What are the key properties of 2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine?
2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 116965082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).