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

C9H12N6O2S2 — CID 63823602

IUPAC2-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-sulfonamide
SMILESNNc1ncc(S(=O)(=O)NCCc2cscn2)cn1
InChIInChI=1S/C9H12N6O2S2/c10-15-9-11-3-8(4-12-9)19(16,17)14-2-1-7-5-18-6-13-7/h3-6,14H,1-2,10H2,(H,11,12,15)
InChIKeyGEGSNGQGLCLQHE-UHFFFAOYSA-N
MW300.37 g/mol
LogP-0.26
Rot. Bonds6

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

2-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-sulfonamide (PubChem CID 63823602) has the molecular formula C9H12N6O2S2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-sulfonamide
PubChem CID63823602
Molecular FormulaC9H12N6O2S2
Molecular Weight300.37 g/mol
Exact Mass300.05
IUPAC Name2-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-sulfonamide
SMILESNNc1ncc(S(=O)(=O)NCCc2cscn2)cn1
InChIInChI=1S/C9H12N6O2S2/c10-15-9-11-3-8(4-12-9)19(16,17)14-2-1-7-5-18-6-13-7/h3-6,14H,1-2,10H2,(H,11,12,15)
InChIKeyGEGSNGQGLCLQHE-UHFFFAOYSA-N
XLogP-0.26
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 63826100
6-amino-5-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 64600162
2-hydrazinyl-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 61328516
4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63824991
3-amino-5-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63829852
3-amino-4,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63829315
3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825962
2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide
CID 63227725
N-[2-(dimethylamino)ethyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327931
3-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 75522790
4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825079
1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 63823637

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-sulfonamide (CID 63823602) is 2-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-sulfonamide is NNc1ncc(S(=O)(=O)NCCc2cscn2)cn1.
What is the InChIKey of 2-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-sulfonamide?
The InChIKey is GEGSNGQGLCLQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S2/c10-15-9-11-3-8(4-12-9)19(16,17)14-2-1-7-5-18-6-13-7/h3-6,14H,1-2,10H2,(H,11,12,15).
What are the key properties of 2-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-sulfonamide?
2-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-sulfonamide has a molecular weight of 300.37 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 63823602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).