N-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide

C16H16N4O3S3 — CID 11258329

IUPACN-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(S(C)(=O)=O)c3)n2)s1
InChIInChI=1S/C16H16N4O3S3/c1-9-14(25-16(17-9)18-10(2)21)13-8-24-15(20-13)19-11-5-4-6-12(7-11)26(3,22)23/h4-8H,1-3H3,(H,19,20)(H,17,18,21)
InChIKeyNBLKZXZGQUAHTL-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.68
Rot. Bonds5

About N-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 11258329) has the molecular formula C16H16N4O3S3 and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID11258329
Molecular FormulaC16H16N4O3S3
Molecular Weight408.53 g/mol
Exact Mass408.04
IUPAC NameN-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(S(C)(=O)=O)c3)n2)s1
InChIInChI=1S/C16H16N4O3S3/c1-9-14(25-16(17-9)18-10(2)21)13-8-24-15(20-13)19-11-5-4-6-12(7-11)26(3,22)23/h4-8H,1-3H3,(H,19,20)(H,17,18,21)
InChIKeyNBLKZXZGQUAHTL-UHFFFAOYSA-N
XLogP3.68
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (CID 11258329) is N-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(S(C)(=O)=O)c3)n2)s1.
What is the InChIKey of N-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NBLKZXZGQUAHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S3/c1-9-14(25-16(17-9)18-10(2)21)13-8-24-15(20-13)19-11-5-4-6-12(7-11)26(3,22)23/h4-8H,1-3H3,(H,19,20)(H,17,18,21).
What are the key properties of N-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 408.53 g/mol, XLogP of 3.68, 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-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11258329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).