N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

C26H31N7O5S2 — CID 169251102

IUPACN-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)N[C@H](CN3[C@@H]4CC[C@H]3COC4)c3cc(NS(=O)(=O)C4CC4)ccn3)s2)n1
InChIInChI=1S/C26H31N7O5S2/c1-2-38-24-12-27-10-21(30-24)23-11-29-26(39-23)25(34)31-22(13-33-17-3-4-18(33)15-37-14-17)20-9-16(7-8-28-20)32-40(35,36)19-5-6-19/h7-12,17-19,22H,2-6,13-15H2,1H3,(H,28,32)(H,31,34)/t17-,18+,22-/m1/s1
InChIKeyQRHBJIYFCSQZFW-KGVIQGDOSA-N
MW585.71 g/mol
LogP2.63
Rot. Bonds11

About N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 169251102) has the molecular formula C26H31N7O5S2 and a molecular weight of 585.71 g/mol. Its IUPAC name is N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID169251102
Molecular FormulaC26H31N7O5S2
Molecular Weight585.71 g/mol
Exact Mass585.18
IUPAC NameN-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)N[C@H](CN3[C@@H]4CC[C@H]3COC4)c3cc(NS(=O)(=O)C4CC4)ccn3)s2)n1
InChIInChI=1S/C26H31N7O5S2/c1-2-38-24-12-27-10-21(30-24)23-11-29-26(39-23)25(34)31-22(13-33-17-3-4-18(33)15-37-14-17)20-9-16(7-8-28-20)32-40(35,36)19-5-6-19/h7-12,17-19,22H,2-6,13-15H2,1H3,(H,28,32)(H,31,34)/t17-,18+,22-/m1/s1
InChIKeyQRHBJIYFCSQZFW-KGVIQGDOSA-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)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251484
N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-pyrrolidin-1-ylethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271184
N-[(1R)-2-(azetidin-1-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 167035138
N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-hydroxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251532
N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(1,4-oxazepan-4-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251651
N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(2-oxo-1-pyridinyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 176871282
N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271767
N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251541
N-[2-(2-azaspiro[3.3]heptan-2-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251617
N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251008
N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-(dimethylamino)-3-methylbutyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251294
N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271746

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (CID 169251102) is N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is CCOc1cncc(-c2cnc(C(=O)N[C@H](CN3[C@@H]4CC[C@H]3COC4)c3cc(NS(=O)(=O)C4CC4)ccn3)s2)n1.
What is the InChIKey of N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is QRHBJIYFCSQZFW-KGVIQGDOSA-N. The full InChI is InChI=1S/C26H31N7O5S2/c1-2-38-24-12-27-10-21(30-24)23-11-29-26(39-23)25(34)31-22(13-33-17-3-4-18(33)15-37-14-17)20-9-16(7-8-28-20)32-40(35,36)19-5-6-19/h7-12,17-19,22H,2-6,13-15H2,1H3,(H,28,32)(H,31,34)/t17-,18+,22-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-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)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 169251102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).