N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine

C11H21N3OS — CID 83019060

IUPACN-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine
SMILESCC(C)CC1CSC(NN2CCOCC2)=N1
InChIInChI=1S/C11H21N3OS/c1-9(2)7-10-8-16-11(12-10)13-14-3-5-15-6-4-14/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyXXUDHGGLBUSPET-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.34
Rot. Bonds3

About N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine

N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine (PubChem CID 83019060) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine.

Molecular Properties

Compound NameN-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine
PubChem CID83019060
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC NameN-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine
SMILESCC(C)CC1CSC(NN2CCOCC2)=N1
InChIInChI=1S/C11H21N3OS/c1-9(2)7-10-8-16-11(12-10)13-14-3-5-15-6-4-14/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyXXUDHGGLBUSPET-UHFFFAOYSA-N
XLogP1.34
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine?
The IUPAC name of N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine (CID 83019060) is N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine.
What is the SMILES notation for N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine?
The canonical SMILES for N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine is CC(C)CC1CSC(NN2CCOCC2)=N1.
What is the InChIKey of N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine?
The InChIKey is XXUDHGGLBUSPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-9(2)7-10-8-16-11(12-10)13-14-3-5-15-6-4-14/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine?
N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine has a molecular weight of 243.38 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine is sourced from PubChem (CID 83019060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).