2-amino-N-propyl-1,3-thiazole-5-sulfonamide

C6H11N3O2S2 — CID 87417017

IUPAC2-amino-N-propyl-1,3-thiazole-5-sulfonamide
SMILESCCCNS(=O)(=O)c1cnc(N)s1
InChIInChI=1S/C6H11N3O2S2/c1-2-3-9-13(10,11)5-4-8-6(7)12-5/h4,9H,2-3H2,1H3,(H2,7,8)
InChIKeyMQJYSZPPZSMRAN-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.41
Rot. Bonds4

About 2-amino-N-propyl-1,3-thiazole-5-sulfonamide

2-amino-N-propyl-1,3-thiazole-5-sulfonamide (PubChem CID 87417017) has the molecular formula C6H11N3O2S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-amino-N-propyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-propyl-1,3-thiazole-5-sulfonamide
PubChem CID87417017
Molecular FormulaC6H11N3O2S2
Molecular Weight221.31 g/mol
Exact Mass221.03
IUPAC Name2-amino-N-propyl-1,3-thiazole-5-sulfonamide
SMILESCCCNS(=O)(=O)c1cnc(N)s1
InChIInChI=1S/C6H11N3O2S2/c1-2-3-9-13(10,11)5-4-8-6(7)12-5/h4,9H,2-3H2,1H3,(H2,7,8)
InChIKeyMQJYSZPPZSMRAN-UHFFFAOYSA-N
XLogP0.41
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Aminothiazole-5-sulfonic acid
CID 2829719
N-(5-sulfamoyl-1,3-thiazol-2-yl)acetamide
CID 21957442
2-Aminothiazole-5-sulfonamide
CID 21957433
2-amino-N-tert-butyl-1,3-thiazole-5-sulfonamide
CID 87417112
n-butyl-N-2-thiazolylsulfonamide
CID 9117500
2-Amino-1,3-thiazole-5-sulfonyl fluoride
CID 345337
1,1,1-trifluoro-N-[5-(trifluoromethylsulfanyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 21852992
N-[5-(trifluoromethylsulfanyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 21852998
2-amino-N-(2,2,2-trifluoroethyl)thiazole-5-sulfonamide
CID 91812350
2-(2,2-Difluoroethylamino)-1,3-thiazole-5-sulfonamide
CID 130687209
2-(2-Fluoroethylamino)-1,3-thiazole-5-sulfonamide
CID 130891340
N-(1,3-thiazol-2-yl)methanesulfonamide
CID 3532089

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-propyl-1,3-thiazole-5-sulfonamide (CID 87417017) is 2-amino-N-propyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-propyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-propyl-1,3-thiazole-5-sulfonamide is CCCNS(=O)(=O)c1cnc(N)s1.
What is the InChIKey of 2-amino-N-propyl-1,3-thiazole-5-sulfonamide?
The InChIKey is MQJYSZPPZSMRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S2/c1-2-3-9-13(10,11)5-4-8-6(7)12-5/h4,9H,2-3H2,1H3,(H2,7,8).
What are the key properties of 2-amino-N-propyl-1,3-thiazole-5-sulfonamide?
2-amino-N-propyl-1,3-thiazole-5-sulfonamide has a molecular weight of 221.31 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 87417017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).