N-[4-methyl-5-[[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide

C19H17N5O3S3 — CID 30285526

IUPACN-[4-methyl-5-[[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)s1
InChIInChI=1S/C19H17N5O3S3/c1-10-6-7-13(16-23-14-5-4-8-20-17(14)28-16)9-15(10)24-30(26,27)18-11(2)21-19(29-18)22-12(3)25/h4-9,24H,1-3H3,(H,21,22,25)
InChIKeyPLOMTXBQSGYYHK-UHFFFAOYSA-N
MW459.58 g/mol
LogP4.19
Rot. Bonds5

About N-[4-methyl-5-[[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 30285526) has the molecular formula C19H17N5O3S3 and a molecular weight of 459.58 g/mol. Its IUPAC name is N-[4-methyl-5-[[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
PubChem CID30285526
Molecular FormulaC19H17N5O3S3
Molecular Weight459.58 g/mol
Exact Mass459.05
IUPAC NameN-[4-methyl-5-[[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)s1
InChIInChI=1S/C19H17N5O3S3/c1-10-6-7-13(16-23-14-5-4-8-20-17(14)28-16)9-15(10)24-30(26,27)18-11(2)21-19(29-18)22-12(3)25/h4-9,24H,1-3H3,(H,21,22,25)
InChIKeyPLOMTXBQSGYYHK-UHFFFAOYSA-N
XLogP4.19
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16806807
4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 40998612
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 40998603
4-acetyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16800845
3,5-dichloro-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024743
1-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-oxopyridine-3-carboxamide
CID 121024820
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024811
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121024802
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-9H-xanthene-9-carboxamide
CID 15944888
ethyl N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate
CID 121024653
2,3-dimethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 3292217
2-(2-methoxyphenoxy)-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024794

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide (CID 30285526) is N-[4-methyl-5-[[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)s1.
What is the InChIKey of N-[4-methyl-5-[[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is PLOMTXBQSGYYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S3/c1-10-6-7-13(16-23-14-5-4-8-20-17(14)28-16)9-15(10)24-30(26,27)18-11(2)21-19(29-18)22-12(3)25/h4-9,24H,1-3H3,(H,21,22,25).
What are the key properties of N-[4-methyl-5-[[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 459.58 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 30285526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).