3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide

C11H17N5O2S2 — CID 105359223

IUPAC3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2c(N)nn(C)c2C)s1
InChIInChI=1S/C11H17N5O2S2/c1-6-5-13-11(19-6)7(2)15-20(17,18)9-8(3)16(4)14-10(9)12/h5,7,15H,1-4H3,(H2,12,14)
InChIKeyOFYUFLFRBCIZHD-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.12
Rot. Bonds4

About 3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide

3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 105359223) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID105359223
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC Name3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2c(N)nn(C)c2C)s1
InChIInChI=1S/C11H17N5O2S2/c1-6-5-13-11(19-6)7(2)15-20(17,18)9-8(3)16(4)14-10(9)12/h5,7,15H,1-4H3,(H2,12,14)
InChIKeyOFYUFLFRBCIZHD-UHFFFAOYSA-N
XLogP1.12
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 103171734
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 107869091
3-amino-N-[1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358529
5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 112697358
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide
CID 115681436
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 113251866
3-amino-5-fluoro-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 116792150
3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 105357896
3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide
CID 105358385
3-amino-1,5-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-4-sulfonamide
CID 105358699
4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 115681422
5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 115681420

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide (CID 105359223) is 3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide is Cc1cnc(C(C)NS(=O)(=O)c2c(N)nn(C)c2C)s1.
What is the InChIKey of 3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is OFYUFLFRBCIZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c1-6-5-13-11(19-6)7(2)15-20(17,18)9-8(3)16(4)14-10(9)12/h5,7,15H,1-4H3,(H2,12,14).
What are the key properties of 3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide?
3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 105359223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).