2-methyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine

C12H22N2S — CID 112644687

IUPAC2-methyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine
SMILESCC(C)CNCC(C)CCc1cncs1
InChIInChI=1S/C12H22N2S/c1-10(2)6-13-7-11(3)4-5-12-8-14-9-15-12/h8-11,13H,4-7H2,1-3H3
InChIKeyXSTCVQWNIKDPFK-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.96
Rot. Bonds7

About 2-methyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine

2-methyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine (PubChem CID 112644687) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine
PubChem CID112644687
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name2-methyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine
SMILESCC(C)CNCC(C)CCc1cncs1
InChIInChI=1S/C12H22N2S/c1-10(2)6-13-7-11(3)4-5-12-8-14-9-15-12/h8-11,13H,4-7H2,1-3H3
InChIKeyXSTCVQWNIKDPFK-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112645570
2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 112645563
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 112644091
2-methyl-N-(2-methylpropyl)-2-(1,3-thiazol-5-ylmethyl)pentan-1-amine
CID 112644099
5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine
CID 62759038
5-(3-bromo-4,4-dimethylpentyl)-1,3-thiazole
CID 112643843
1-(1,3-thiazol-5-yl)hexan-3-ol
CID 19417357
N-ethyl-3-methyl-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112645544
N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine
CID 115979461
3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112645545
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 112640915
2-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-3-(1,3-thiazol-5-yl)propan-1-amine
CID 115979377

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine (CID 112644687) is 2-methyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine is CC(C)CNCC(C)CCc1cncs1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine?
The InChIKey is XSTCVQWNIKDPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-10(2)6-13-7-11(3)4-5-12-8-14-9-15-12/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine?
2-methyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine is sourced from PubChem (CID 112644687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).