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

C16H30N2OS — CID 114368898

IUPACN-[[2-(2-ethoxypropan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C(C)(C)OCC)nc1CC(C)C
InChIInChI=1S/C16H30N2OS/c1-7-9-17-11-14-13(10-12(3)4)18-15(20-14)16(5,6)19-8-2/h12,17H,7-11H2,1-6H3
InChIKeyYISJSLNQCRRKDA-UHFFFAOYSA-N
MW298.50 g/mol
LogP4.11
Rot. Bonds9

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

N-[[2-(2-ethoxypropan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 114368898) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is N-[[2-(2-ethoxypropan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-ethoxypropan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID114368898
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC NameN-[[2-(2-ethoxypropan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C(C)(C)OCC)nc1CC(C)C
InChIInChI=1S/C16H30N2OS/c1-7-9-17-11-14-13(10-12(3)4)18-15(20-14)16(5,6)19-8-2/h12,17H,7-11H2,1-6H3
InChIKeyYISJSLNQCRRKDA-UHFFFAOYSA-N
XLogP4.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.11
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-ethoxypropan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[2-(3-methoxypentan-3-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368822
N-[[2-butan-2-yl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368874
N-[[2-(methoxymethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368906
N-[[2-(3-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368915
1-[2-(2-ethoxypropan-2-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730710
1-[2-(2-ethoxypropan-2-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363464
N-[[2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368957
1-[2-tert-butyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368318
N-[[4-(2-methylpropyl)-2-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368491
2-methyl-N-[[4-(2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369789
N-[[2-(1-ethoxyethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 113459642
N-[[2-(1-ethoxypropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365184

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxypropan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-ethoxypropan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 114368898) is N-[[2-(2-ethoxypropan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-ethoxypropan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-ethoxypropan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(C(C)(C)OCC)nc1CC(C)C.
What is the InChIKey of N-[[2-(2-ethoxypropan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is YISJSLNQCRRKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-7-9-17-11-14-13(10-12(3)4)18-15(20-14)16(5,6)19-8-2/h12,17H,7-11H2,1-6H3.
What are the key properties of N-[[2-(2-ethoxypropan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(2-ethoxypropan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 298.50 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxypropan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 114368898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).