2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid

C11H19N3O4S2 — CID 43361116

IUPAC2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCCCN(CCC)S(=O)(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C11H19N3O4S2/c1-3-5-14(6-4-2)20(17,18)13-11-12-9(8-19-11)7-10(15)16/h8H,3-7H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyVXRFJEQXSLNMPF-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.55
Rot. Bonds9

About 2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid

2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 43361116) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID43361116
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC Name2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCCCN(CCC)S(=O)(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C11H19N3O4S2/c1-3-5-14(6-4-2)20(17,18)13-11-12-9(8-19-11)7-10(15)16/h8H,3-7H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyVXRFJEQXSLNMPF-UHFFFAOYSA-N
XLogP1.55
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 16777075
2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
CID 114805146
methyl 2-[2-(diethylsulfamoylamino)-1,3-thiazol-4-yl]acetate
CID 43624505
2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
CID 83023966
2-[2-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546649
2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
2-[2-(cyclopropylmethylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 64988064
2-[2-(3-ethylpentan-3-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576122
2-[2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 62063668
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
CID 124512662
2-[2-(2-methylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 16791992
2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 103099582

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid (CID 43361116) is 2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid is CCCN(CCC)S(=O)(=O)Nc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is VXRFJEQXSLNMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-3-5-14(6-4-2)20(17,18)13-11-12-9(8-19-11)7-10(15)16/h8H,3-7H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 321.42 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 43361116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).