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

C12H22N2S — CID 116888443

IUPAC3-methyl-3-[2-(2-methylpropyl)-1,3-thiazol-4-yl]butan-1-amine
SMILESCC(C)Cc1nc(C(C)(C)CCN)cs1
InChIInChI=1S/C12H22N2S/c1-9(2)7-11-14-10(8-15-11)12(3,4)5-6-13/h8-9H,5-7,13H2,1-4H3
InChIKeyWWEIDKFEIQTTIZ-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.97
Rot. Bonds5

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

3-methyl-3-[2-(2-methylpropyl)-1,3-thiazol-4-yl]butan-1-amine (PubChem CID 116888443) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 3-methyl-3-[2-(2-methylpropyl)-1,3-thiazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-[2-(2-methylpropyl)-1,3-thiazol-4-yl]butan-1-amine
PubChem CID116888443
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name3-methyl-3-[2-(2-methylpropyl)-1,3-thiazol-4-yl]butan-1-amine
SMILESCC(C)Cc1nc(C(C)(C)CCN)cs1
InChIInChI=1S/C12H22N2S/c1-9(2)7-11-14-10(8-15-11)12(3,4)5-6-13/h8-9H,5-7,13H2,1-4H3
InChIKeyWWEIDKFEIQTTIZ-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79820663
5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79817319
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine
CID 116888474
1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine
CID 64544064
methyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylbutanoate
CID 79816963
3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine
CID 116888466
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105214128
[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213765
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312170
N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 79816956

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-(2-methylpropyl)-1,3-thiazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-3-[2-(2-methylpropyl)-1,3-thiazol-4-yl]butan-1-amine (CID 116888443) is 3-methyl-3-[2-(2-methylpropyl)-1,3-thiazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-3-[2-(2-methylpropyl)-1,3-thiazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-3-[2-(2-methylpropyl)-1,3-thiazol-4-yl]butan-1-amine is CC(C)Cc1nc(C(C)(C)CCN)cs1.
What is the InChIKey of 3-methyl-3-[2-(2-methylpropyl)-1,3-thiazol-4-yl]butan-1-amine?
The InChIKey is WWEIDKFEIQTTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-9(2)7-11-14-10(8-15-11)12(3,4)5-6-13/h8-9H,5-7,13H2,1-4H3.
What are the key properties of 3-methyl-3-[2-(2-methylpropyl)-1,3-thiazol-4-yl]butan-1-amine?
3-methyl-3-[2-(2-methylpropyl)-1,3-thiazol-4-yl]butan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-(2-methylpropyl)-1,3-thiazol-4-yl]butan-1-amine is sourced from PubChem (CID 116888443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).