N-[2-[(2S)-1-[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]piperazin-2-yl]-4-pyridinyl]cyclopropanesulfonamide

C21H25N7O3S2 — CID 175474047

IUPACN-[2-[(2S)-1-[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]piperazin-2-yl]-4-pyridinyl]cyclopropanesulfonamide
SMILESCCOc1cncc(-c2cnc(N3CCNC[C@H]3c3cc(NS(=O)(=O)C4CC4)ccn3)s2)n1
InChIInChI=1S/C21H25N7O3S2/c1-2-31-20-13-23-10-17(26-20)19-12-25-21(32-19)28-8-7-22-11-18(28)16-9-14(5-6-24-16)27-33(29,30)15-3-4-15/h5-6,9-10,12-13,15,18,22H,2-4,7-8,11H2,1H3,(H,24,27)/t18-/m0/s1
InChIKeyILEHRNOJRIOSHP-SFHVURJKSA-N
MW487.61 g/mol
LogP2.45
Rot. Bonds8

About N-[2-[(2S)-1-[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]piperazin-2-yl]-4-pyridinyl]cyclopropanesulfonamide

N-[2-[(2S)-1-[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]piperazin-2-yl]-4-pyridinyl]cyclopropanesulfonamide (PubChem CID 175474047) has the molecular formula C21H25N7O3S2 and a molecular weight of 487.61 g/mol. Its IUPAC name is N-[2-[(2S)-1-[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]piperazin-2-yl]-4-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-1-[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]piperazin-2-yl]-4-pyridinyl]cyclopropanesulfonamide
PubChem CID175474047
Molecular FormulaC21H25N7O3S2
Molecular Weight487.61 g/mol
Exact Mass487.15
IUPAC NameN-[2-[(2S)-1-[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]piperazin-2-yl]-4-pyridinyl]cyclopropanesulfonamide
SMILESCCOc1cncc(-c2cnc(N3CCNC[C@H]3c3cc(NS(=O)(=O)C4CC4)ccn3)s2)n1
InChIInChI=1S/C21H25N7O3S2/c1-2-31-20-13-23-10-17(26-20)19-12-25-21(32-19)28-8-7-22-11-18(28)16-9-14(5-6-24-16)27-33(29,30)15-3-4-15/h5-6,9-10,12-13,15,18,22H,2-4,7-8,11H2,1H3,(H,24,27)/t18-/m0/s1
InChIKeyILEHRNOJRIOSHP-SFHVURJKSA-N
XLogP2.45
TPSA122.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[2-[(2R)-1-[4-(6-ethoxypyrazin-2-yl)benzoyl]pyrrolidin-2-yl]-4-pyridinyl]cyclopropanesulfonamide
CID 163271939
N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251008
N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-pyrrolidin-1-ylethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271184
N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-hydroxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251532
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-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxypropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169250988
N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271767
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
N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-[(2S)-1-methylpiperidin-2-yl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271197
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-[(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
N-[(R)-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-[(2R)-4-methylmorpholin-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251086

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-1-[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]piperazin-2-yl]-4-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[(2S)-1-[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]piperazin-2-yl]-4-pyridinyl]cyclopropanesulfonamide (CID 175474047) is N-[2-[(2S)-1-[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]piperazin-2-yl]-4-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[(2S)-1-[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]piperazin-2-yl]-4-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[(2S)-1-[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]piperazin-2-yl]-4-pyridinyl]cyclopropanesulfonamide is CCOc1cncc(-c2cnc(N3CCNC[C@H]3c3cc(NS(=O)(=O)C4CC4)ccn3)s2)n1.
What is the InChIKey of N-[2-[(2S)-1-[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]piperazin-2-yl]-4-pyridinyl]cyclopropanesulfonamide?
The InChIKey is ILEHRNOJRIOSHP-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25N7O3S2/c1-2-31-20-13-23-10-17(26-20)19-12-25-21(32-19)28-8-7-22-11-18(28)16-9-14(5-6-24-16)27-33(29,30)15-3-4-15/h5-6,9-10,12-13,15,18,22H,2-4,7-8,11H2,1H3,(H,24,27)/t18-/m0/s1.
What are the key properties of N-[2-[(2S)-1-[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]piperazin-2-yl]-4-pyridinyl]cyclopropanesulfonamide?
N-[2-[(2S)-1-[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]piperazin-2-yl]-4-pyridinyl]cyclopropanesulfonamide has a molecular weight of 487.61 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-1-[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]piperazin-2-yl]-4-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 175474047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).