N-[2-[5-chloro-2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide

C21H23ClN6O4S2 — CID 150715068

IUPACN-[2-[5-chloro-2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
SMILESCCOc1cncc(-c2ccc(C(=O)NC(C)(C)c3nc(NS(=O)(=O)C4CC4)sc3Cl)nc2)n1
InChIInChI=1S/C21H23ClN6O4S2/c1-4-32-16-11-23-10-15(25-16)12-5-8-14(24-9-12)19(29)27-21(2,3)17-18(22)33-20(26-17)28-34(30,31)13-6-7-13/h5,8-11,13H,4,6-7H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyJORUNWPXMZGTBC-UHFFFAOYSA-N
MW523.04 g/mol
LogP3.62
Rot. Bonds9

About N-[2-[5-chloro-2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide

N-[2-[5-chloro-2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (PubChem CID 150715068) has the molecular formula C21H23ClN6O4S2 and a molecular weight of 523.04 g/mol. Its IUPAC name is N-[2-[5-chloro-2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[5-chloro-2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
PubChem CID150715068
Molecular FormulaC21H23ClN6O4S2
Molecular Weight523.04 g/mol
Exact Mass522.09
IUPAC NameN-[2-[5-chloro-2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
SMILESCCOc1cncc(-c2ccc(C(=O)NC(C)(C)c3nc(NS(=O)(=O)C4CC4)sc3Cl)nc2)n1
InChIInChI=1S/C21H23ClN6O4S2/c1-4-32-16-11-23-10-15(25-16)12-5-8-14(24-9-12)19(29)27-21(2,3)17-18(22)33-20(26-17)28-34(30,31)13-6-7-13/h5,8-11,13H,4,6-7H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyJORUNWPXMZGTBC-UHFFFAOYSA-N
XLogP3.62
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.04
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

CID 152139448
CID 152139448
CID 138673489
CID 138673489
CID 138673555
CID 138673555
CID 138673666
CID 138673666
CID 138673764
CID 138673764
CID 138673779
CID 138673779
CID 138673971
CID 138673971
CID 148161699
CID 148161699
CID 148461580
CID 148461580
CID 149041264
CID 149041264
CID 149906174
CID 149906174
CID 150058228
CID 150058228

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-chloro-2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[5-chloro-2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (CID 150715068) is N-[2-[5-chloro-2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[5-chloro-2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[5-chloro-2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide is CCOc1cncc(-c2ccc(C(=O)NC(C)(C)c3nc(NS(=O)(=O)C4CC4)sc3Cl)nc2)n1.
What is the InChIKey of N-[2-[5-chloro-2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The InChIKey is JORUNWPXMZGTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O4S2/c1-4-32-16-11-23-10-15(25-16)12-5-8-14(24-9-12)19(29)27-21(2,3)17-18(22)33-20(26-17)28-34(30,31)13-6-7-13/h5,8-11,13H,4,6-7H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-[5-chloro-2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
N-[2-[5-chloro-2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide has a molecular weight of 523.04 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-chloro-2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 150715068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).