3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)propanamide

C10H12ClN3O2S — CID 54963651

IUPAC3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)propanamide
SMILESO=C(CCCl)NC(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C10H12ClN3O2S/c11-5-4-8(15)13-9(16)14-10-12-6-2-1-3-7(6)17-10/h1-5H2,(H2,12,13,14,15,16)
InChIKeyNNDULBGGAOFOJA-UHFFFAOYSA-N
MW273.75 g/mol
LogP1.91
Rot. Bonds3

About 3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)propanamide

3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)propanamide (PubChem CID 54963651) has the molecular formula C10H12ClN3O2S and a molecular weight of 273.75 g/mol. Its IUPAC name is 3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)propanamide
PubChem CID54963651
Molecular FormulaC10H12ClN3O2S
Molecular Weight273.75 g/mol
Exact Mass273.03
IUPAC Name3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)propanamide
SMILESO=C(CCCl)NC(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C10H12ClN3O2S/c11-5-4-8(15)13-9(16)14-10-12-6-2-1-3-7(6)17-10/h1-5H2,(H2,12,13,14,15,16)
InChIKeyNNDULBGGAOFOJA-UHFFFAOYSA-N
XLogP1.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)propanamide?
The IUPAC name of 3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)propanamide (CID 54963651) is 3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)propanamide.
What is the SMILES notation for 3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)propanamide?
The canonical SMILES for 3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)propanamide is O=C(CCCl)NC(=O)Nc1nc2c(s1)CCC2.
What is the InChIKey of 3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)propanamide?
The InChIKey is NNDULBGGAOFOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2S/c11-5-4-8(15)13-9(16)14-10-12-6-2-1-3-7(6)17-10/h1-5H2,(H2,12,13,14,15,16).
What are the key properties of 3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)propanamide?
3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)propanamide has a molecular weight of 273.75 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)propanamide is sourced from PubChem (CID 54963651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).