N-(1-ethoxypropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C11H22N2OS — CID 107857862

IUPACN-(1-ethoxypropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCOCC(C)NC1=NC(C(C)C)CS1
InChIInChI=1S/C11H22N2OS/c1-5-14-6-9(4)12-11-13-10(7-15-11)8(2)3/h8-10H,5-7H2,1-4H3,(H,12,13)
InChIKeyPLEXRYCZLOZOEP-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.13
Rot. Bonds5

About N-(1-ethoxypropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

N-(1-ethoxypropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107857862) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107857862
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-(1-ethoxypropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCOCC(C)NC1=NC(C(C)C)CS1
InChIInChI=1S/C11H22N2OS/c1-5-14-6-9(4)12-11-13-10(7-15-11)8(2)3/h8-10H,5-7H2,1-4H3,(H,12,13)
InChIKeyPLEXRYCZLOZOEP-UHFFFAOYSA-N
XLogP2.13
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 107857862) is N-(1-ethoxypropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CCOCC(C)NC1=NC(C(C)C)CS1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is PLEXRYCZLOZOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-5-14-6-9(4)12-11-13-10(7-15-11)8(2)3/h8-10H,5-7H2,1-4H3,(H,12,13).
What are the key properties of N-(1-ethoxypropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(1-ethoxypropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 230.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107857862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).