N-(3-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C7H13N3O3S2 — CID 43605742

IUPACN-(3-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCCN
InChIInChI=1S/C7H13N3O3S2/c1-5-6(14-7(11)10-5)15(12,13)9-4-2-3-8/h9H,2-4,8H2,1H3,(H,10,11)
InChIKeyNDZTXWDTHANGTR-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.63
Rot. Bonds5

About N-(3-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(3-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 43605742) has the molecular formula C7H13N3O3S2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID43605742
Molecular FormulaC7H13N3O3S2
Molecular Weight251.33 g/mol
Exact Mass251.04
IUPAC NameN-(3-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCCN
InChIInChI=1S/C7H13N3O3S2/c1-5-6(14-7(11)10-5)15(12,13)9-4-2-3-8/h9H,2-4,8H2,1H3,(H,10,11)
InChIKeyNDZTXWDTHANGTR-UHFFFAOYSA-N
XLogP-0.63
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,4-dimethyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
CID 54884279
4-methyl-2-oxo-N-(3,3,3-trifluoropropyl)-3H-1,3-thiazole-5-sulfonamide
CID 55176308
4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
CID 60985032
4-methyl-2-oxo-N-(2,2,3,3-tetrafluoropropyl)-3H-1,3-thiazole-5-sulfonamide
CID 106293630
N-(3-amino-2,2-difluoropropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 113577769
4-methyl-2-oxo-N-(4,4,4-trifluorobutan-2-yl)-3H-1,3-thiazole-5-sulfonamide
CID 114130623
N-(2,2-difluoroethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 115408308
4-methyl-2-oxo-N-(4,4,4-trifluorobutyl)-3H-1,3-thiazole-5-sulfonamide
CID 115521685
N-(2,2-difluoroethyl)-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 116316492
4-Methyl-2-oxo-2,3-dihydro-1,3-thiazole-5-sulfonamide
CID 16794146
N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 43132256
N-ethyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 43243220

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 43605742) is N-(3-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is NDZTXWDTHANGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S2/c1-5-6(14-7(11)10-5)15(12,13)9-4-2-3-8/h9H,2-4,8H2,1H3,(H,10,11).
What are the key properties of N-(3-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(3-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 251.33 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43605742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).