2-bromo-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide

C10H14BrN3O2S — CID 117085175

IUPAC2-bromo-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc(Br)s1
InChIInChI=1S/C10H14BrN3O2S/c11-10-13-7-8(17-10)9(15)12-1-2-14-3-5-16-6-4-14/h7H,1-6H2,(H,12,15)
InChIKeyGXUKRGSGVGMNLZ-UHFFFAOYSA-N
MW320.21 g/mol
LogP0.97
Rot. Bonds4

About 2-bromo-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide

2-bromo-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 117085175) has the molecular formula C10H14BrN3O2S and a molecular weight of 320.21 g/mol. Its IUPAC name is 2-bromo-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID117085175
Molecular FormulaC10H14BrN3O2S
Molecular Weight320.21 g/mol
Exact Mass319.00
IUPAC Name2-bromo-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc(Br)s1
InChIInChI=1S/C10H14BrN3O2S/c11-10-13-7-8(17-10)9(15)12-1-2-14-3-5-16-6-4-14/h7H,1-6H2,(H,12,15)
InChIKeyGXUKRGSGVGMNLZ-UHFFFAOYSA-N
XLogP0.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-bromo-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 117085175) is 2-bromo-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-bromo-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide is O=C(NCCN1CCOCC1)c1cnc(Br)s1.
What is the InChIKey of 2-bromo-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GXUKRGSGVGMNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2S/c11-10-13-7-8(17-10)9(15)12-1-2-14-3-5-16-6-4-14/h7H,1-6H2,(H,12,15).
What are the key properties of 2-bromo-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
2-bromo-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 320.21 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117085175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).