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

C24H29N7O5S2 — CID 169251086

IUPACN-[(R)-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-[(2R)-4-methylmorpholin-2-yl]methyl]-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]3CN(C)CCO3)s2)n1
InChIInChI=1S/C24H29N7O5S2/c1-3-35-21-13-25-11-18(28-21)20-12-27-24(37-20)23(32)29-22(19-14-31(2)8-9-36-19)17-10-15(6-7-26-17)30-38(33,34)16-4-5-16/h6-7,10-13,16,19,22H,3-5,8-9,14H2,1-2H3,(H,26,30)(H,29,32)/t19-,22-/m1/s1
InChIKeyZJSZGNSXNUMMND-DENIHFKCSA-N
MW559.67 g/mol
LogP2.10
Rot. Bonds10

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

N-[(R)-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-[(2R)-4-methylmorpholin-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 169251086) has the molecular formula C24H29N7O5S2 and a molecular weight of 559.67 g/mol. Its IUPAC name is N-[(R)-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-[(2R)-4-methylmorpholin-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-[(2R)-4-methylmorpholin-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID169251086
Molecular FormulaC24H29N7O5S2
Molecular Weight559.67 g/mol
Exact Mass559.17
IUPAC NameN-[(R)-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-[(2R)-4-methylmorpholin-2-yl]methyl]-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]3CN(C)CCO3)s2)n1
InChIInChI=1S/C24H29N7O5S2/c1-3-35-21-13-25-11-18(28-21)20-12-27-24(37-20)23(32)29-22(19-14-31(2)8-9-36-19)17-10-15(6-7-26-17)30-38(33,34)16-4-5-16/h6-7,10-13,16,19,22H,3-5,8-9,14H2,1-2H3,(H,26,30)(H,29,32)/t19-,22-/m1/s1
InChIKeyZJSZGNSXNUMMND-DENIHFKCSA-N
XLogP2.10
TPSA148.53 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.67
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[(R)-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-[(2R)-4-methylmorpholin-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-[(2R)-4-methylmorpholin-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(R)-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-[(2R)-4-methylmorpholin-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (CID 169251086) is N-[(R)-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-[(2R)-4-methylmorpholin-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(R)-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-[(2R)-4-methylmorpholin-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(R)-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-[(2R)-4-methylmorpholin-2-yl]methyl]-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]3CN(C)CCO3)s2)n1.
What is the InChIKey of N-[(R)-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-[(2R)-4-methylmorpholin-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is ZJSZGNSXNUMMND-DENIHFKCSA-N. The full InChI is InChI=1S/C24H29N7O5S2/c1-3-35-21-13-25-11-18(28-21)20-12-27-24(37-20)23(32)29-22(19-14-31(2)8-9-36-19)17-10-15(6-7-26-17)30-38(33,34)16-4-5-16/h6-7,10-13,16,19,22H,3-5,8-9,14H2,1-2H3,(H,26,30)(H,29,32)/t19-,22-/m1/s1.
What are the key properties of N-[(R)-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-[(2R)-4-methylmorpholin-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
N-[(R)-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-[(2R)-4-methylmorpholin-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 559.67 g/mol, XLogP of 2.10, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-[(2R)-4-methylmorpholin-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 169251086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).