N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide

C11H15N3O2S3 — CID 110717928

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2csc(N)n2)s1
InChIInChI=1S/C11H15N3O2S3/c1-2-9-3-4-10(18-9)19(15,16)13-6-5-8-7-17-11(12)14-8/h3-4,7,13H,2,5-6H2,1H3,(H2,12,14)
InChIKeyFNXQOUNDQUADHK-UHFFFAOYSA-N
MW317.46 g/mol
LogP1.87
Rot. Bonds6

About N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 110717928) has the molecular formula C11H15N3O2S3 and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide
PubChem CID110717928
Molecular FormulaC11H15N3O2S3
Molecular Weight317.46 g/mol
Exact Mass317.03
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2csc(N)n2)s1
InChIInChI=1S/C11H15N3O2S3/c1-2-9-3-4-10(18-9)19(15,16)13-6-5-8-7-17-11(12)14-8/h3-4,7,13H,2,5-6H2,1H3,(H2,12,14)
InChIKeyFNXQOUNDQUADHK-UHFFFAOYSA-N
XLogP1.87
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 110397970
5-ethyl-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113098193
5-ethyl-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 110602852
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 110717920
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-chloro-4-methylbenzenesulfonamide
CID 110717932
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110717936
5-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 90537815
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
N-(2-amino-2-methylpropyl)-5-ethylthiophene-2-sulfonamide
CID 115303410
N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
CID 30366253
5-ethyl-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide
CID 23603449
5-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 110711996

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide (CID 110717928) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCc2csc(N)n2)s1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is FNXQOUNDQUADHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S3/c1-2-9-3-4-10(18-9)19(15,16)13-6-5-8-7-17-11(12)14-8/h3-4,7,13H,2,5-6H2,1H3,(H2,12,14).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 110717928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).