4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-dimethylpyrazol-5-amine

C9H16N4O2S — CID 62209591

IUPAC4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1CN1CCCS1(=O)=O
InChIInChI=1S/C9H16N4O2S/c1-7-8(9(10)12(2)11-7)6-13-4-3-5-16(13,14)15/h3-6,10H2,1-2H3
InChIKeyXNVXIGMYLUBGHA-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.15
Rot. Bonds2

About 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-dimethylpyrazol-5-amine

4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-dimethylpyrazol-5-amine (PubChem CID 62209591) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-dimethylpyrazol-5-amine
PubChem CID62209591
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1CN1CCCS1(=O)=O
InChIInChI=1S/C9H16N4O2S/c1-7-8(9(10)12(2)11-7)6-13-4-3-5-16(13,14)15/h3-6,10H2,1-2H3
InChIKeyXNVXIGMYLUBGHA-UHFFFAOYSA-N
XLogP-0.15
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-dimethylpyrazol-5-amine (CID 62209591) is 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(N)c1CN1CCCS1(=O)=O.
What is the InChIKey of 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-dimethylpyrazol-5-amine?
The InChIKey is XNVXIGMYLUBGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-7-8(9(10)12(2)11-7)6-13-4-3-5-16(13,14)15/h3-6,10H2,1-2H3.
What are the key properties of 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-dimethylpyrazol-5-amine?
4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-dimethylpyrazol-5-amine has a molecular weight of 244.32 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 62209591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).