1-propanoyl-2-(1,3-thiazol-2-yl)diazinane-3-carboxylic acid

C11H15N3O3S — CID 175892964

IUPAC1-propanoyl-2-(1,3-thiazol-2-yl)diazinane-3-carboxylic acid
SMILESCCC(=O)N1CCCC(C(=O)O)N1c1nccs1
InChIInChI=1S/C11H15N3O3S/c1-2-9(15)13-6-3-4-8(10(16)17)14(13)11-12-5-7-18-11/h5,7-8H,2-4,6H2,1H3,(H,16,17)
InChIKeySYUXFKFXJCBJIG-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.35
Rot. Bonds3

About 1-propanoyl-2-(1,3-thiazol-2-yl)diazinane-3-carboxylic acid

1-propanoyl-2-(1,3-thiazol-2-yl)diazinane-3-carboxylic acid (PubChem CID 175892964) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-propanoyl-2-(1,3-thiazol-2-yl)diazinane-3-carboxylic acid.

Molecular Properties

Compound Name1-propanoyl-2-(1,3-thiazol-2-yl)diazinane-3-carboxylic acid
PubChem CID175892964
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name1-propanoyl-2-(1,3-thiazol-2-yl)diazinane-3-carboxylic acid
SMILESCCC(=O)N1CCCC(C(=O)O)N1c1nccs1
InChIInChI=1S/C11H15N3O3S/c1-2-9(15)13-6-3-4-8(10(16)17)14(13)11-12-5-7-18-11/h5,7-8H,2-4,6H2,1H3,(H,16,17)
InChIKeySYUXFKFXJCBJIG-UHFFFAOYSA-N
XLogP1.35
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-propanoyl-2-(1,3-thiazol-2-yl)diazinane-3-carboxylic 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

(2R)-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 78923072
(2R,3S)-2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 96603287
(3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30072707
1-[(2S)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 75479662
N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 90619300
1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 94551535
(2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 97019874
5-methyl-1-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 122117013
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
(2R)-1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]piperidine-2-carboxylic acid
CID 99639870

Frequently Asked Questions

What is the IUPAC name of 1-propanoyl-2-(1,3-thiazol-2-yl)diazinane-3-carboxylic acid?
The IUPAC name of 1-propanoyl-2-(1,3-thiazol-2-yl)diazinane-3-carboxylic acid (CID 175892964) is 1-propanoyl-2-(1,3-thiazol-2-yl)diazinane-3-carboxylic acid.
What is the SMILES notation for 1-propanoyl-2-(1,3-thiazol-2-yl)diazinane-3-carboxylic acid?
The canonical SMILES for 1-propanoyl-2-(1,3-thiazol-2-yl)diazinane-3-carboxylic acid is CCC(=O)N1CCCC(C(=O)O)N1c1nccs1.
What is the InChIKey of 1-propanoyl-2-(1,3-thiazol-2-yl)diazinane-3-carboxylic acid?
The InChIKey is SYUXFKFXJCBJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-2-9(15)13-6-3-4-8(10(16)17)14(13)11-12-5-7-18-11/h5,7-8H,2-4,6H2,1H3,(H,16,17).
What are the key properties of 1-propanoyl-2-(1,3-thiazol-2-yl)diazinane-3-carboxylic acid?
1-propanoyl-2-(1,3-thiazol-2-yl)diazinane-3-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyl-2-(1,3-thiazol-2-yl)diazinane-3-carboxylic acid is sourced from PubChem (CID 175892964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).