5-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C12H21N3OS — CID 79072068

IUPAC5-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCN1CCOC(CNC2=NCC(C3CC3)S2)C1
InChIInChI=1S/C12H21N3OS/c1-15-4-5-16-10(8-15)6-13-12-14-7-11(17-12)9-2-3-9/h9-11H,2-8H2,1H3,(H,13,14)
InChIKeyISPWMCXTQHIXLM-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.79
Rot. Bonds3

About 5-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 79072068) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID79072068
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name5-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCN1CCOC(CNC2=NCC(C3CC3)S2)C1
InChIInChI=1S/C12H21N3OS/c1-15-4-5-16-10(8-15)6-13-12-14-7-11(17-12)9-2-3-9/h9-11H,2-8H2,1H3,(H,13,14)
InChIKeyISPWMCXTQHIXLM-UHFFFAOYSA-N
XLogP0.79
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 79072068) is 5-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is CN1CCOC(CNC2=NCC(C3CC3)S2)C1.
What is the InChIKey of 5-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ISPWMCXTQHIXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-15-4-5-16-10(8-15)6-13-12-14-7-11(17-12)9-2-3-9/h9-11H,2-8H2,1H3,(H,13,14).
What are the key properties of 5-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 255.39 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 79072068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).