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

C12H22N2S — CID 62794828

IUPAC3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc(C)cs1)C(C)C
InChIInChI=1S/C12H22N2S/c1-5-6-13-11(9(2)3)7-12-14-10(4)8-15-12/h8-9,11,13H,5-7H2,1-4H3
InChIKeyXFCMMNQCTSPMLH-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.02
Rot. Bonds6

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

3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine (PubChem CID 62794828) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
PubChem CID62794828
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc(C)cs1)C(C)C
InChIInChI=1S/C12H22N2S/c1-5-6-13-11(9(2)3)7-12-14-10(4)8-15-12/h8-9,11,13H,5-7H2,1-4H3
InChIKeyXFCMMNQCTSPMLH-UHFFFAOYSA-N
XLogP3.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 105019512
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 61044563
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 105019417
1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine
CID 63416762
N-ethyl-3-methoxy-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 116720302
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62796371
1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796548
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 105019392
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-N-propylbutan-2-amine
CID 63202183
4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine
CID 66038753
3-ethoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 116727125
1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine
CID 63644001

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine (CID 62794828) is 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine is CCCNC(Cc1nc(C)cs1)C(C)C.
What is the InChIKey of 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine?
The InChIKey is XFCMMNQCTSPMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-5-6-13-11(9(2)3)7-12-14-10(4)8-15-12/h8-9,11,13H,5-7H2,1-4H3.
What are the key properties of 3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine?
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine has a molecular weight of 226.39 g/mol, XLogP of 3.02, 6 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)-N-propylbutan-2-amine is sourced from PubChem (CID 62794828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).