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

C9H16N2S — CID 62797218

IUPAC3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCc1csc(CC(N)C(C)C)n1
InChIInChI=1S/C9H16N2S/c1-6(2)8(10)4-9-11-7(3)5-12-9/h5-6,8H,4,10H2,1-3H3
InChIKeySOBVPVVFXZHBTD-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.98
Rot. Bonds3

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

3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine (PubChem CID 62797218) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
PubChem CID62797218
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCc1csc(CC(N)C(C)C)n1
InChIInChI=1S/C9H16N2S/c1-6(2)8(10)4-9-11-7(3)5-12-9/h5-6,8H,4,10H2,1-3H3
InChIKeySOBVPVVFXZHBTD-UHFFFAOYSA-N
XLogP1.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol
CID 103452784
(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 94605824
3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine
CID 116717476
3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
CID 130589293
N-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 105019512
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 62794828
4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103457297
3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 105019405
4-methyl-2-(3-methylbutyl)-1,3-thiazole
CID 115641470
5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 64567637
1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 62796871
2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 64989653

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine (CID 62797218) is 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine is Cc1csc(CC(N)C(C)C)n1.
What is the InChIKey of 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is SOBVPVVFXZHBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-6(2)8(10)4-9-11-7(3)5-12-9/h5-6,8H,4,10H2,1-3H3.
What are the key properties of 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 184.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 62797218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).