N-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide

C18H21N3O2S3 — CID 24603177

IUPACN-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(-c2csc(NCCc3ccccc3)n2)s1
InChIInChI=1S/C18H21N3O2S3/c1-26(22,23)20-12-10-15-7-8-17(25-15)16-13-24-18(21-16)19-11-9-14-5-3-2-4-6-14/h2-8,13,20H,9-12H2,1H3,(H,19,21)
InChIKeyWVKVYNWKUSMBDF-UHFFFAOYSA-N
MW407.59 g/mol
LogP3.62
Rot. Bonds9

About N-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide

N-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide (PubChem CID 24603177) has the molecular formula C18H21N3O2S3 and a molecular weight of 407.59 g/mol. Its IUPAC name is N-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
PubChem CID24603177
Molecular FormulaC18H21N3O2S3
Molecular Weight407.59 g/mol
Exact Mass407.08
IUPAC NameN-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(-c2csc(NCCc3ccccc3)n2)s1
InChIInChI=1S/C18H21N3O2S3/c1-26(22,23)20-12-10-15-7-8-17(25-15)16-13-24-18(21-16)19-11-9-14-5-3-2-4-6-14/h2-8,13,20H,9-12H2,1H3,(H,19,21)
InChIKeyWVKVYNWKUSMBDF-UHFFFAOYSA-N
XLogP3.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.59
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24603170
N-[2-[5-[2-(furan-2-yl)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 25487674
N-[2-[5-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 60528651
N-[2-[5-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide
CID 18141554
N-[2-[4-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide
CID 24603213
N-[2-[5-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 31264408
N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 72720135
4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 892965
2-[4-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 24603190
N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide
CID 17478229
N-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 31060887
4-[5-(2-aminoethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
CID 114810414

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide (CID 24603177) is N-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCc1ccc(-c2csc(NCCc3ccccc3)n2)s1.
What is the InChIKey of N-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide?
The InChIKey is WVKVYNWKUSMBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S3/c1-26(22,23)20-12-10-15-7-8-17(25-15)16-13-24-18(21-16)19-11-9-14-5-3-2-4-6-14/h2-8,13,20H,9-12H2,1H3,(H,19,21).
What are the key properties of N-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide?
N-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide has a molecular weight of 407.59 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 24603177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).