N-(2-morpholin-4-ylethyl)-7-(1,3-thiazol-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C17H25N5O3S — CID 118741053

IUPACN-(2-morpholin-4-ylethyl)-7-(1,3-thiazol-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1=NOC2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C17H25N5O3S/c23-16(19-2-5-21-6-8-24-9-7-21)14-11-17(25-20-14)1-4-22(13-17)12-15-18-3-10-26-15/h3,10H,1-2,4-9,11-13H2,(H,19,23)
InChIKeyIMDGXVHKOFBLBX-UHFFFAOYSA-N
MW379.49 g/mol
LogP0.31
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-7-(1,3-thiazol-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

N-(2-morpholin-4-ylethyl)-7-(1,3-thiazol-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 118741053) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-7-(1,3-thiazol-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-7-(1,3-thiazol-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID118741053
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC NameN-(2-morpholin-4-ylethyl)-7-(1,3-thiazol-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1=NOC2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C17H25N5O3S/c23-16(19-2-5-21-6-8-24-9-7-21)14-11-17(25-20-14)1-4-22(13-17)12-15-18-3-10-26-15/h3,10H,1-2,4-9,11-13H2,(H,19,23)
InChIKeyIMDGXVHKOFBLBX-UHFFFAOYSA-N
XLogP0.31
TPSA79.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-7-(1,3-thiazol-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-7-(1,3-thiazol-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 118741053) is N-(2-morpholin-4-ylethyl)-7-(1,3-thiazol-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-7-(1,3-thiazol-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-7-(1,3-thiazol-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is O=C(NCCN1CCOCC1)C1=NOC2(CCN(Cc3nccs3)C2)C1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-7-(1,3-thiazol-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is IMDGXVHKOFBLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S/c23-16(19-2-5-21-6-8-24-9-7-21)14-11-17(25-20-14)1-4-22(13-17)12-15-18-3-10-26-15/h3,10H,1-2,4-9,11-13H2,(H,19,23).
What are the key properties of N-(2-morpholin-4-ylethyl)-7-(1,3-thiazol-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
N-(2-morpholin-4-ylethyl)-7-(1,3-thiazol-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-7-(1,3-thiazol-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 118741053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).