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

C13H24N2S — CID 116969696

IUPAC3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butan-1-amine
SMILESCC(C)Cc1csc(CC(CN)C(C)C)n1
InChIInChI=1S/C13H24N2S/c1-9(2)5-12-8-16-13(15-12)6-11(7-14)10(3)4/h8-11H,5-7,14H2,1-4H3
InChIKeyQSKLNXKOMOGFSO-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.12
Rot. Bonds6

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

3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butan-1-amine (PubChem CID 116969696) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butan-1-amine
PubChem CID116969696
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butan-1-amine
SMILESCC(C)Cc1csc(CC(CN)C(C)C)n1
InChIInChI=1S/C13H24N2S/c1-9(2)5-12-8-16-13(15-12)6-11(7-14)10(3)4/h8-11H,5-7,14H2,1-4H3
InChIKeyQSKLNXKOMOGFSO-UHFFFAOYSA-N
XLogP3.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
CID 116965082
3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 116969697
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
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
N-methyl-4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 59665191
4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-1,3-thiazole
CID 170239016
2-methyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanenitrile
CID 116865207

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butan-1-amine?
The IUPAC name of 3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butan-1-amine (CID 116969696) is 3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butan-1-amine is CC(C)Cc1csc(CC(CN)C(C)C)n1.
What is the InChIKey of 3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butan-1-amine?
The InChIKey is QSKLNXKOMOGFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-9(2)5-12-8-16-13(15-12)6-11(7-14)10(3)4/h8-11H,5-7,14H2,1-4H3.
What are the key properties of 3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butan-1-amine?
3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butan-1-amine has a molecular weight of 240.42 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 116969696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).