2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide

C14H17N3O3S2 — CID 122159478

IUPAC2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(C)c2cccc(S(N)(=O)=O)c2)c(C)s1
InChIInChI=1S/C14H17N3O3S2/c1-8(11-5-4-6-12(7-11)22(15,19)20)16-14(18)13-9(2)21-10(3)17-13/h4-8H,1-3H3,(H,16,18)(H2,15,19,20)
InChIKeyFHJLCEDTDQVBOP-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.90
Rot. Bonds4

About 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide

2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 122159478) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID122159478
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(C)c2cccc(S(N)(=O)=O)c2)c(C)s1
InChIInChI=1S/C14H17N3O3S2/c1-8(11-5-4-6-12(7-11)22(15,19)20)16-14(18)13-9(2)21-10(3)17-13/h4-8H,1-3H3,(H,16,18)(H2,15,19,20)
InChIKeyFHJLCEDTDQVBOP-UHFFFAOYSA-N
XLogP1.90
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435
N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 47009666
3,5-dichloro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213469
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
CID 78814202
2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55407765
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
1,3-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839843
1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 112729478
6-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 78831279
3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213455
2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213570
3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 114876353

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 122159478) is 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC(C)c2cccc(S(N)(=O)=O)c2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FHJLCEDTDQVBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-8(11-5-4-6-12(7-11)22(15,19)20)16-14(18)13-9(2)21-10(3)17-13/h4-8H,1-3H3,(H,16,18)(H2,15,19,20).
What are the key properties of 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122159478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).