[2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine

C14H26N2OS — CID 114361227

IUPAC[2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(C(OCC)C(C)(C)C)sc1CN
InChIInChI=1S/C14H26N2OS/c1-6-8-10-11(9-15)18-13(16-10)12(17-7-2)14(3,4)5/h12H,6-9,15H2,1-5H3
InChIKeyVMJICMQGWJHHMG-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.68
Rot. Bonds6

About [2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine

[2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 114361227) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is [2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID114361227
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name[2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(C(OCC)C(C)(C)C)sc1CN
InChIInChI=1S/C14H26N2OS/c1-6-8-10-11(9-15)18-13(16-10)12(17-7-2)14(3,4)5/h12H,6-9,15H2,1-5H3
InChIKeyVMJICMQGWJHHMG-UHFFFAOYSA-N
XLogP3.68
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-ethoxy-2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116730876
(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine
CID 82431364
[2-(1-methoxy-2,2-dimethylpropyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361610
[2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 116730707
[2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362210
[2-(2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361240
[2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362256
N-[[2-(1-ethoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364575
1-[4-cyclopropyl-2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366979
[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362116
[2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361772
N-[[2-(1-ethoxy-2-methylpropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114364038

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine (CID 114361227) is [2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine is CCCc1nc(C(OCC)C(C)(C)C)sc1CN.
What is the InChIKey of [2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is VMJICMQGWJHHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-6-8-10-11(9-15)18-13(16-10)12(17-7-2)14(3,4)5/h12H,6-9,15H2,1-5H3.
What are the key properties of [2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
[2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 270.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).