N-[(1R,2S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

C26H31N7O5S2 — CID 169251591

IUPACN-[(1R,2S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)N[C@@H](c3cc(NS(=O)(=O)C4CC4)ccn3)[C@H](C)N3C[C@H]4C[C@@H]3CO4)s2)n1
InChIInChI=1S/C26H31N7O5S2/c1-3-37-23-12-27-10-21(30-23)22-11-29-26(39-22)25(34)31-24(15(2)33-13-18-9-17(33)14-38-18)20-8-16(6-7-28-20)32-40(35,36)19-4-5-19/h6-8,10-12,15,17-19,24H,3-5,9,13-14H2,1-2H3,(H,28,32)(H,31,34)/t15-,17+,18+,24+/m0/s1
InChIKeyMSRDJQNIXLFOEK-YQCHORPJSA-N
MW585.71 g/mol
LogP2.63
Rot. Bonds11

About N-[(1R,2S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

N-[(1R,2S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 169251591) has the molecular formula C26H31N7O5S2 and a molecular weight of 585.71 g/mol. Its IUPAC name is N-[(1R,2S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID169251591
Molecular FormulaC26H31N7O5S2
Molecular Weight585.71 g/mol
Exact Mass585.18
IUPAC NameN-[(1R,2S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)N[C@@H](c3cc(NS(=O)(=O)C4CC4)ccn3)[C@H](C)N3C[C@H]4C[C@@H]3CO4)s2)n1
InChIInChI=1S/C26H31N7O5S2/c1-3-37-23-12-27-10-21(30-23)22-11-29-26(39-22)25(34)31-24(15(2)33-13-18-9-17(33)14-38-18)20-8-16(6-7-28-20)32-40(35,36)19-4-5-19/h6-8,10-12,15,17-19,24H,3-5,9,13-14H2,1-2H3,(H,28,32)(H,31,34)/t15-,17+,18+,24+/m0/s1
InChIKeyMSRDJQNIXLFOEK-YQCHORPJSA-N
XLogP2.63
TPSA148.53 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[(1R,2S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-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 N-[(1R,2S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(1R,2S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (CID 169251591) is N-[(1R,2S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is CCOc1cncc(-c2cnc(C(=O)N[C@@H](c3cc(NS(=O)(=O)C4CC4)ccn3)[C@H](C)N3C[C@H]4C[C@@H]3CO4)s2)n1.
What is the InChIKey of N-[(1R,2S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is MSRDJQNIXLFOEK-YQCHORPJSA-N. The full InChI is InChI=1S/C26H31N7O5S2/c1-3-37-23-12-27-10-21(30-23)22-11-29-26(39-22)25(34)31-24(15(2)33-13-18-9-17(33)14-38-18)20-8-16(6-7-28-20)32-40(35,36)19-4-5-19/h6-8,10-12,15,17-19,24H,3-5,9,13-14H2,1-2H3,(H,28,32)(H,31,34)/t15-,17+,18+,24+/m0/s1.
What are the key properties of N-[(1R,2S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
N-[(1R,2S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 585.71 g/mol, XLogP of 2.63, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 169251591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).