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

C15H28N2OS — CID 114365238

IUPACN-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C(C)(CC)OC)nc1C(C)C
InChIInChI=1S/C15H28N2OS/c1-7-9-16-10-12-13(11(3)4)17-14(19-12)15(5,8-2)18-6/h11,16H,7-10H2,1-6H3
InChIKeyLGAWSLJHVRFEBK-UHFFFAOYSA-N
MW284.47 g/mol
LogP4.04
Rot. Bonds8

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

N-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 114365238) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID114365238
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C(C)(CC)OC)nc1C(C)C
InChIInChI=1S/C15H28N2OS/c1-7-9-16-10-12-13(11(3)4)17-14(19-12)15(5,8-2)18-6/h11,16H,7-10H2,1-6H3
InChIKeyLGAWSLJHVRFEBK-UHFFFAOYSA-N
XLogP4.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine with MolForge

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Related Compounds

[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361462
N-[[2-(tert-butylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365285
4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 114365185
N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 79392809
N-[[2-(ethoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365231
N-[[2-(3-methoxypentan-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368822
N-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82433773
N-[[4-tert-butyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114362715
3-[[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
CID 83959766
N-[[2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82434472
N-[[2-(1-ethoxypropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365184
N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79395623

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 114365238) is N-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(C(C)(CC)OC)nc1C(C)C.
What is the InChIKey of N-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is LGAWSLJHVRFEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-7-9-16-10-12-13(11(3)4)17-14(19-12)15(5,8-2)18-6/h11,16H,7-10H2,1-6H3.
What are the key properties of N-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 284.47 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 114365238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).