Skip to content

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

C20H19F2N5O4S2 — CID 163271011

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[3-(cyclopropylsulfonylamino)-4,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)NCc3cc(F)c(F)c(NS(=O)(=O)C4CC4)c3)s2)n1
InChIInChI=1S/C20H19F2N5O4S2/c1-2-31-17-10-23-8-15(26-17)16-9-25-20(32-16)19(28)24-7-11-5-13(21)18(22)14(6-11)27-33(29,30)12-3-4-12/h5-6,8-10,12,27H,2-4,7H2,1H3,(H,24,28)
InChIKeyUEPRNJFTHKJCHE-UHFFFAOYSA-N
MW495.53 g/mol
LogP3.11
Rot. Bonds9

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

N-[[3-(cyclopropylsulfonylamino)-4,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 163271011) has the molecular formula C20H19F2N5O4S2 and a molecular weight of 495.53 g/mol. Its IUPAC name is N-[[3-(cyclopropylsulfonylamino)-4,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(cyclopropylsulfonylamino)-4,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID163271011
Molecular FormulaC20H19F2N5O4S2
Molecular Weight495.53 g/mol
Exact Mass495.08
IUPAC NameN-[[3-(cyclopropylsulfonylamino)-4,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)NCc3cc(F)c(F)c(NS(=O)(=O)C4CC4)c3)s2)n1
InChIInChI=1S/C20H19F2N5O4S2/c1-2-31-17-10-23-8-15(26-17)16-9-25-20(32-16)19(28)24-7-11-5-13(21)18(22)14(6-11)27-33(29,30)12-3-4-12/h5-6,8-10,12,27H,2-4,7H2,1H3,(H,24,28)
InChIKeyUEPRNJFTHKJCHE-UHFFFAOYSA-N
XLogP3.11
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropylsulfonylamino)-4,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[[3-(cyclopropylsulfonylamino)-4,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (CID 163271011) is N-[[3-(cyclopropylsulfonylamino)-4,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[[3-(cyclopropylsulfonylamino)-4,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[[3-(cyclopropylsulfonylamino)-4,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is CCOc1cncc(-c2cnc(C(=O)NCc3cc(F)c(F)c(NS(=O)(=O)C4CC4)c3)s2)n1.
What is the InChIKey of N-[[3-(cyclopropylsulfonylamino)-4,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is UEPRNJFTHKJCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O4S2/c1-2-31-17-10-23-8-15(26-17)16-9-25-20(32-16)19(28)24-7-11-5-13(21)18(22)14(6-11)27-33(29,30)12-3-4-12/h5-6,8-10,12,27H,2-4,7H2,1H3,(H,24,28).
What are the key properties of N-[[3-(cyclopropylsulfonylamino)-4,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
N-[[3-(cyclopropylsulfonylamino)-4,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 495.53 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropylsulfonylamino)-4,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 163271011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.