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

C13H24N2S — CID 61332999

IUPAC3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)(c1nc(C)cs1)C(C)CC
InChIInChI=1S/C13H24N2S/c1-6-8-14-13(5,10(3)7-2)12-15-11(4)9-16-12/h9-10,14H,6-8H2,1-5H3
InChIKeyGWXCNYYIUXRXQS-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.71
Rot. Bonds6

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

3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine (PubChem CID 61332999) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine
PubChem CID61332999
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)(c1nc(C)cs1)C(C)CC
InChIInChI=1S/C13H24N2S/c1-6-8-14-13(5,10(3)7-2)12-15-11(4)9-16-12/h9-10,14H,6-8H2,1-5H3
InChIKeyGWXCNYYIUXRXQS-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 61331371
5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine
CID 61330642
3-(4-methyl-1,3-thiazol-2-yl)-N-propylheptan-3-amine
CID 63951458
N,3-dimethyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-2-amine
CID 61331351
1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 113490150
1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine
CID 64917236
3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol
CID 95903874
2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 61335180
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 80558853
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine
CID 61330206
2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylpentan-2-amine
CID 61333805
4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 47802762

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine?
The IUPAC name of 3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine (CID 61332999) is 3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine?
The canonical SMILES for 3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine is CCCNC(C)(c1nc(C)cs1)C(C)CC.
What is the InChIKey of 3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine?
The InChIKey is GWXCNYYIUXRXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-6-8-14-13(5,10(3)7-2)12-15-11(4)9-16-12/h9-10,14H,6-8H2,1-5H3.
What are the key properties of 3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine?
3-methyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.71, 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-methyl-1,3-thiazol-2-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 61332999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).