(5S)-N-(2-methyl-3-pyridinyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C18H21N5O2S — CID 97491822

IUPAC(5S)-N-(2-methyl-3-pyridinyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCc1nc(CN2CC[C@]3(CC(C(=O)Nc4cccnc4C)=NO3)C2)cs1
InChIInChI=1S/C18H21N5O2S/c1-12-15(4-3-6-19-12)21-17(24)16-8-18(25-22-16)5-7-23(11-18)9-14-10-26-13(2)20-14/h3-4,6,10H,5,7-9,11H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyGDGHRPFHUXZXHO-SFHVURJKSA-N
MW371.47 g/mol
LogP2.51
Rot. Bonds4

About (5S)-N-(2-methyl-3-pyridinyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5S)-N-(2-methyl-3-pyridinyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491822) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is (5S)-N-(2-methyl-3-pyridinyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name(5S)-N-(2-methyl-3-pyridinyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID97491822
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name(5S)-N-(2-methyl-3-pyridinyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCc1nc(CN2CC[C@]3(CC(C(=O)Nc4cccnc4C)=NO3)C2)cs1
InChIInChI=1S/C18H21N5O2S/c1-12-15(4-3-6-19-12)21-17(24)16-8-18(25-22-16)5-7-23(11-18)9-14-10-26-13(2)20-14/h3-4,6,10H,5,7-9,11H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyGDGHRPFHUXZXHO-SFHVURJKSA-N
XLogP2.51
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5S)-N-(2-methyl-3-pyridinyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(2-methyl-3-pyridinyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of (5S)-N-(2-methyl-3-pyridinyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97491822) is (5S)-N-(2-methyl-3-pyridinyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for (5S)-N-(2-methyl-3-pyridinyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for (5S)-N-(2-methyl-3-pyridinyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is Cc1nc(CN2CC[C@]3(CC(C(=O)Nc4cccnc4C)=NO3)C2)cs1.
What is the InChIKey of (5S)-N-(2-methyl-3-pyridinyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is GDGHRPFHUXZXHO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-12-15(4-3-6-19-12)21-17(24)16-8-18(25-22-16)5-7-23(11-18)9-14-10-26-13(2)20-14/h3-4,6,10H,5,7-9,11H2,1-2H3,(H,21,24)/t18-/m0/s1.
What are the key properties of (5S)-N-(2-methyl-3-pyridinyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
(5S)-N-(2-methyl-3-pyridinyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(2-methyl-3-pyridinyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).