2-[3-(methanesulfonamido)phenyl]-N-[4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-2-yl]acetamide

C18H16N6O3S2 — CID 11704626

IUPAC2-[3-(methanesulfonamido)phenyl]-N-[4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-2-yl]acetamide
SMILESCS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4nccnc34)cs2)c1
InChIInChI=1S/C18H16N6O3S2/c1-29(26,27)24-12-4-2-3-11(7-12)8-15(25)23-18-22-14(10-28-18)13-9-21-17-16(13)19-5-6-20-17/h2-7,9-10,24H,8H2,1H3,(H,20,21)(H,22,23,25)
InChIKeyRKMPOIHFPXODDL-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.63
Rot. Bonds6

About 2-[3-(methanesulfonamido)phenyl]-N-[4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-2-yl]acetamide

2-[3-(methanesulfonamido)phenyl]-N-[4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 11704626) has the molecular formula C18H16N6O3S2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-[3-(methanesulfonamido)phenyl]-N-[4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-(methanesulfonamido)phenyl]-N-[4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID11704626
Molecular FormulaC18H16N6O3S2
Molecular Weight428.50 g/mol
Exact Mass428.07
IUPAC Name2-[3-(methanesulfonamido)phenyl]-N-[4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-2-yl]acetamide
SMILESCS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4nccnc34)cs2)c1
InChIInChI=1S/C18H16N6O3S2/c1-29(26,27)24-12-4-2-3-11(7-12)8-15(25)23-18-22-14(10-28-18)13-9-21-17-16(13)19-5-6-20-17/h2-7,9-10,24H,8H2,1H3,(H,20,21)(H,22,23,25)
InChIKeyRKMPOIHFPXODDL-UHFFFAOYSA-N
XLogP2.63
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(methanesulfonamido)phenyl]-N-[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)thiophen-2-yl]acetamide
CID 58655892
N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 11531053
2-[3-(2-methoxyethylsulfamoyl)phenyl]-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
CID 11605242
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 24568361
N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 11552085
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 24568469
2-(4-fluorophenyl)-N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide
CID 11566889
2-(3-methoxyphenyl)-N-[4-(2-methoxy-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
CID 24831672
2-(4-ethoxyphenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide
CID 24568286
N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]acetamide
CID 11569735
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18127523
2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 24829572

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methanesulfonamido)phenyl]-N-[4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[3-(methanesulfonamido)phenyl]-N-[4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-2-yl]acetamide (CID 11704626) is 2-[3-(methanesulfonamido)phenyl]-N-[4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[3-(methanesulfonamido)phenyl]-N-[4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[3-(methanesulfonamido)phenyl]-N-[4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-2-yl]acetamide is CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4nccnc34)cs2)c1.
What is the InChIKey of 2-[3-(methanesulfonamido)phenyl]-N-[4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RKMPOIHFPXODDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3S2/c1-29(26,27)24-12-4-2-3-11(7-12)8-15(25)23-18-22-14(10-28-18)13-9-21-17-16(13)19-5-6-20-17/h2-7,9-10,24H,8H2,1H3,(H,20,21)(H,22,23,25).
What are the key properties of 2-[3-(methanesulfonamido)phenyl]-N-[4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-2-yl]acetamide?
2-[3-(methanesulfonamido)phenyl]-N-[4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 428.50 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methanesulfonamido)phenyl]-N-[4-(5H-pyrrolo[2,3-b]pyrazin-7-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11704626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).