4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]morpholine-3-carboxamide

C11H15N5O2S — CID 83096415

IUPAC4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]morpholine-3-carboxamide
SMILESNCc1c(N2CCOCC2C(N)=O)nc2sccn12
InChIInChI=1S/C11H15N5O2S/c12-5-7-10(14-11-16(7)2-4-19-11)15-1-3-18-6-8(15)9(13)17/h2,4,8H,1,3,5-6,12H2,(H2,13,17)
InChIKeyPXORDVLWHSFENJ-UHFFFAOYSA-N
MW281.34 g/mol
LogP-0.46
Rot. Bonds3

About 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]morpholine-3-carboxamide

4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]morpholine-3-carboxamide (PubChem CID 83096415) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]morpholine-3-carboxamide
PubChem CID83096415
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]morpholine-3-carboxamide
SMILESNCc1c(N2CCOCC2C(N)=O)nc2sccn12
InChIInChI=1S/C11H15N5O2S/c12-5-7-10(14-11-16(7)2-4-19-11)15-1-3-18-6-8(15)9(13)17/h2,4,8H,1,3,5-6,12H2,(H2,13,17)
InChIKeyPXORDVLWHSFENJ-UHFFFAOYSA-N
XLogP-0.46
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]morpholine-3-carboxamide?
The IUPAC name of 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]morpholine-3-carboxamide (CID 83096415) is 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]morpholine-3-carboxamide?
The canonical SMILES for 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]morpholine-3-carboxamide is NCc1c(N2CCOCC2C(N)=O)nc2sccn12.
What is the InChIKey of 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]morpholine-3-carboxamide?
The InChIKey is PXORDVLWHSFENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c12-5-7-10(14-11-16(7)2-4-19-11)15-1-3-18-6-8(15)9(13)17/h2,4,8H,1,3,5-6,12H2,(H2,13,17).
What are the key properties of 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]morpholine-3-carboxamide?
4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]morpholine-3-carboxamide has a molecular weight of 281.34 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]morpholine-3-carboxamide is sourced from PubChem (CID 83096415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).