N-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

C13H24N2OS — CID 116730576

IUPACN-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCC(OC)c1nc(C)c(CNC(C)(C)C)s1
InChIInChI=1S/C13H24N2OS/c1-7-10(16-6)12-15-9(2)11(17-12)8-14-13(3,4)5/h10,14H,7-8H2,1-6H3
InChIKeyPADAONDKFAENMZ-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.44
Rot. Bonds5

About N-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 116730576) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID116730576
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCC(OC)c1nc(C)c(CNC(C)(C)C)s1
InChIInChI=1S/C13H24N2OS/c1-7-10(16-6)12-15-9(2)11(17-12)8-14-13(3,4)5/h10,14H,7-8H2,1-6H3
InChIKeyPADAONDKFAENMZ-UHFFFAOYSA-N
XLogP3.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-ethoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730586
N-[[2-(1-methoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730581
2-methyl-N-[[4-methyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116633333
N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364575
N-[[2-(2-methoxybutan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116777926
N-[[2-(1-methoxyethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364548
N-[[2-(1-methoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363891
2-[2-(1-methoxybutyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 116705266
N'-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62766866
N-[[2-(1-methoxy-2-methylpropyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730847
N-[[2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116730572
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767600

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 116730576) is N-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CCC(OC)c1nc(C)c(CNC(C)(C)C)s1.
What is the InChIKey of N-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is PADAONDKFAENMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-7-10(16-6)12-15-9(2)11(17-12)8-14-13(3,4)5/h10,14H,7-8H2,1-6H3.
What are the key properties of N-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 256.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxypropyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 116730576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).