5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-nitrothiophene-2-sulfonamide

C10H10N4O4S3 — CID 80731451

IUPAC5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-nitrothiophene-2-sulfonamide
SMILESNc1sc(S(=O)(=O)Nc2nc3c(s2)CCC3)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O4S3/c11-9-6(14(15)16)4-8(20-9)21(17,18)13-10-12-5-2-1-3-7(5)19-10/h4H,1-3,11H2,(H,12,13)
InChIKeyXJCDFVAMOOLOHS-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.98
Rot. Bonds4

About 5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-nitrothiophene-2-sulfonamide

5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-nitrothiophene-2-sulfonamide (PubChem CID 80731451) has the molecular formula C10H10N4O4S3 and a molecular weight of 346.42 g/mol. Its IUPAC name is 5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-nitrothiophene-2-sulfonamide
PubChem CID80731451
Molecular FormulaC10H10N4O4S3
Molecular Weight346.42 g/mol
Exact Mass345.99
IUPAC Name5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-nitrothiophene-2-sulfonamide
SMILESNc1sc(S(=O)(=O)Nc2nc3c(s2)CCC3)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O4S3/c11-9-6(14(15)16)4-8(20-9)21(17,18)13-10-12-5-2-1-3-7(5)19-10/h4H,1-3,11H2,(H,12,13)
InChIKeyXJCDFVAMOOLOHS-UHFFFAOYSA-N
XLogP1.98
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-nitrothiophene-2-sulfonamide
CID 114389272
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,4-dimethylbenzenesulfonamide
CID 84569915
5-amino-N',N'-dimethyl-4-nitrothiophene-2-sulfonohydrazide
CID 83023425
5-amino-N-(3,5-difluorophenyl)-4-nitrothiophene-2-sulfonamide
CID 80744953
3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791735
4-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 106053177
5-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 3323683
5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide
CID 80746501
5-amino-N-(3-fluoro-4-pyridinyl)-4-nitrothiophene-2-sulfonamide
CID 107595435
5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide
CID 80746827
3,4-difluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 22201612
5-amino-N-(5-bromopyrazin-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80747323

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-nitrothiophene-2-sulfonamide (CID 80731451) is 5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-nitrothiophene-2-sulfonamide is Nc1sc(S(=O)(=O)Nc2nc3c(s2)CCC3)cc1[N+](=O)[O-].
What is the InChIKey of 5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is XJCDFVAMOOLOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S3/c11-9-6(14(15)16)4-8(20-9)21(17,18)13-10-12-5-2-1-3-7(5)19-10/h4H,1-3,11H2,(H,12,13).
What are the key properties of 5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-nitrothiophene-2-sulfonamide?
5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 346.42 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80731451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).