2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethanamine

C10H15F2N3OS — CID 118303042

IUPAC2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethanamine
SMILESNCC(c1scnc1C(F)F)N1CCOCC1
InChIInChI=1S/C10H15F2N3OS/c11-10(12)8-9(17-6-14-8)7(5-13)15-1-3-16-4-2-15/h6-7,10H,1-5,13H2
InChIKeyIKUAGHJNPOLVFN-UHFFFAOYSA-N
MW263.31 g/mol
LogP1.41
Rot. Bonds4

About 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethanamine

2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethanamine (PubChem CID 118303042) has the molecular formula C10H15F2N3OS and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethanamine
PubChem CID118303042
Molecular FormulaC10H15F2N3OS
Molecular Weight263.31 g/mol
Exact Mass263.09
IUPAC Name2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethanamine
SMILESNCC(c1scnc1C(F)F)N1CCOCC1
InChIInChI=1S/C10H15F2N3OS/c11-10(12)8-9(17-6-14-8)7(5-13)15-1-3-16-4-2-15/h6-7,10H,1-5,13H2
InChIKeyIKUAGHJNPOLVFN-UHFFFAOYSA-N
XLogP1.41
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethanamine?
The IUPAC name of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethanamine (CID 118303042) is 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethanamine?
The canonical SMILES for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethanamine is NCC(c1scnc1C(F)F)N1CCOCC1.
What is the InChIKey of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethanamine?
The InChIKey is IKUAGHJNPOLVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3OS/c11-10(12)8-9(17-6-14-8)7(5-13)15-1-3-16-4-2-15/h6-7,10H,1-5,13H2.
What are the key properties of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethanamine?
2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethanamine has a molecular weight of 263.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 118303042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).