2-chloro-N-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]propanamide

C10H12ClN3O2S — CID 54957928

IUPAC2-chloro-N-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C10H12ClN3O2S/c1-5(11)8(15)13-9(16)14-10-12-7(4-17-10)6-2-3-6/h4-6H,2-3H2,1H3,(H2,12,13,14,15,16)
InChIKeyIRRAGWGFSIWEDM-UHFFFAOYSA-N
MW273.75 g/mol
LogP2.30
Rot. Bonds3

About 2-chloro-N-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]propanamide

2-chloro-N-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]propanamide (PubChem CID 54957928) has the molecular formula C10H12ClN3O2S and a molecular weight of 273.75 g/mol. Its IUPAC name is 2-chloro-N-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]propanamide
PubChem CID54957928
Molecular FormulaC10H12ClN3O2S
Molecular Weight273.75 g/mol
Exact Mass273.03
IUPAC Name2-chloro-N-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C10H12ClN3O2S/c1-5(11)8(15)13-9(16)14-10-12-7(4-17-10)6-2-3-6/h4-6H,2-3H2,1H3,(H2,12,13,14,15,16)
InChIKeyIRRAGWGFSIWEDM-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
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 2-chloro-N-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]propanamide (CID 54957928) is 2-chloro-N-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]propanamide is CC(Cl)C(=O)NC(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of 2-chloro-N-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]propanamide?
The InChIKey is IRRAGWGFSIWEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2S/c1-5(11)8(15)13-9(16)14-10-12-7(4-17-10)6-2-3-6/h4-6H,2-3H2,1H3,(H2,12,13,14,15,16).
What are the key properties of 2-chloro-N-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]propanamide?
2-chloro-N-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]propanamide has a molecular weight of 273.75 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]propanamide is sourced from PubChem (CID 54957928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).