N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

C21H24N6O5S2 — CID 163271767

IUPACN-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)NC(COC)c3cc(NS(=O)(=O)C4CC4)ccn3)s2)n1
InChIInChI=1S/C21H24N6O5S2/c1-3-32-19-11-22-9-16(25-19)18-10-24-21(33-18)20(28)26-17(12-31-2)15-8-13(6-7-23-15)27-34(29,30)14-4-5-14/h6-11,14,17H,3-5,12H2,1-2H3,(H,23,27)(H,26,28)
InChIKeyQTWSJTXNELRCKP-UHFFFAOYSA-N
MW504.59 g/mol
LogP2.42
Rot. Bonds11

About N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 163271767) has the molecular formula C21H24N6O5S2 and a molecular weight of 504.59 g/mol. Its IUPAC name is N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID163271767
Molecular FormulaC21H24N6O5S2
Molecular Weight504.59 g/mol
Exact Mass504.12
IUPAC NameN-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)NC(COC)c3cc(NS(=O)(=O)C4CC4)ccn3)s2)n1
InChIInChI=1S/C21H24N6O5S2/c1-3-32-19-11-22-9-16(25-19)18-10-24-21(33-18)20(28)26-17(12-31-2)15-8-13(6-7-23-15)27-34(29,30)14-4-5-14/h6-11,14,17H,3-5,12H2,1-2H3,(H,23,27)(H,26,28)
InChIKeyQTWSJTXNELRCKP-UHFFFAOYSA-N
XLogP2.42
TPSA145.29 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (CID 163271767) is N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is CCOc1cncc(-c2cnc(C(=O)NC(COC)c3cc(NS(=O)(=O)C4CC4)ccn3)s2)n1.
What is the InChIKey of N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is QTWSJTXNELRCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O5S2/c1-3-32-19-11-22-9-16(25-19)18-10-24-21(33-18)20(28)26-17(12-31-2)15-8-13(6-7-23-15)27-34(29,30)14-4-5-14/h6-11,14,17H,3-5,12H2,1-2H3,(H,23,27)(H,26,28).
What are the key properties of N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 2.42, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 163271767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).