N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine

C9H17N3OS — CID 29068278

IUPACN-(2-morpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CSC(NCCN2CCOCC2)=N1
InChIInChI=1S/C9H17N3OS/c1(10-9-11-2-8-14-9)3-12-4-6-13-7-5-12/h1-8H2,(H,10,11)
InChIKeyZADRKWAFZMKYBN-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.01
Rot. Bonds3

About N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 29068278) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID29068278
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC NameN-(2-morpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CSC(NCCN2CCOCC2)=N1
InChIInChI=1S/C9H17N3OS/c1(10-9-11-2-8-14-9)3-12-4-6-13-7-5-12/h1-8H2,(H,10,11)
InChIKeyZADRKWAFZMKYBN-UHFFFAOYSA-N
XLogP0.01
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 29068278) is N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine is C1CSC(NCCN2CCOCC2)=N1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ZADRKWAFZMKYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1(10-9-11-2-8-14-9)3-12-4-6-13-7-5-12/h1-8H2,(H,10,11).
What are the key properties of N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 215.32 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 29068278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).