N-(2-ethoxy-2-methylpropyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine

C12H24N2OS — CID 114943294

IUPACN-(2-ethoxy-2-methylpropyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NCC(C)(C)OCC)S1
InChIInChI=1S/C12H24N2OS/c1-5-7-10-8-13-11(16-10)14-9-12(3,4)15-6-2/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyPKURVUAHGHPJNV-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.66
Rot. Bonds6

About N-(2-ethoxy-2-methylpropyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine

N-(2-ethoxy-2-methylpropyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114943294) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114943294
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-(2-ethoxy-2-methylpropyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NCC(C)(C)OCC)S1
InChIInChI=1S/C12H24N2OS/c1-5-7-10-8-13-11(16-10)14-9-12(3,4)15-6-2/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyPKURVUAHGHPJNV-UHFFFAOYSA-N
XLogP2.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (CID 114943294) is N-(2-ethoxy-2-methylpropyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is CCCC1CN=C(NCC(C)(C)OCC)S1.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is PKURVUAHGHPJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-5-7-10-8-13-11(16-10)14-9-12(3,4)15-6-2/h10H,5-9H2,1-4H3,(H,13,14).
What are the key properties of N-(2-ethoxy-2-methylpropyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-ethoxy-2-methylpropyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 244.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114943294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).