N,N-diethyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide

C12H16N2O2S3 — CID 2795581

IUPACN,N-diethyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2csc(C)n2)s1
InChIInChI=1S/C12H16N2O2S3/c1-4-14(5-2)19(15,16)12-7-6-11(18-12)10-8-17-9(3)13-10/h6-8H,4-5H2,1-3H3
InChIKeyHVRFPORBSGWKPR-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.21
Rot. Bonds5

About N,N-diethyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide

N,N-diethyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide (PubChem CID 2795581) has the molecular formula C12H16N2O2S3 and a molecular weight of 316.47 g/mol. Its IUPAC name is N,N-diethyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
PubChem CID2795581
Molecular FormulaC12H16N2O2S3
Molecular Weight316.47 g/mol
Exact Mass316.04
IUPAC NameN,N-diethyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2csc(C)n2)s1
InChIInChI=1S/C12H16N2O2S3/c1-4-14(5-2)19(15,16)12-7-6-11(18-12)10-8-17-9(3)13-10/h6-8H,4-5H2,1-3H3
InChIKeyHVRFPORBSGWKPR-UHFFFAOYSA-N
XLogP3.21
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[2-(2-Thienyl)-1,3-thiazol-4-yl]methyl}-1lambda~6~,4-thiazinane-1,1-dione
CID 2738462
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}-2-thiophenesulfonamide
CID 2738769
4-methyl-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2812981
N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 829863
N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 887333
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2738759
[5-(2-Methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanamine
CID 7130823
1-{[5-(2-Methyl-1,3-thiazol-4-yl)-2-thienyl]sulfonyl}-4-phenethyl-1,4-diazepane
CID 2810354
1-{[5-(2-Methyl-1,3-thiazol-4-yl)-2-thienyl]sulfonyl}-4-phenethylpiperazine
CID 2810366
5-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 3237364
5-ethyl-N-[2-(2-phenyl-4-thiazolyl)ethyl]-2-thiophenesulfonamide
CID 3239280
5-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 3243477

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of N,N-diethyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide (CID 2795581) is N,N-diethyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N,N-diethyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for N,N-diethyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2csc(C)n2)s1.
What is the InChIKey of N,N-diethyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is HVRFPORBSGWKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S3/c1-4-14(5-2)19(15,16)12-7-6-11(18-12)10-8-17-9(3)13-10/h6-8H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
N,N-diethyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 2795581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).