2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide

C13H20ClN3O2S — CID 3412435

IUPAC2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
SMILESCC(C)CCN(CC(=O)Nc1nccs1)C(=O)C(C)Cl
InChIInChI=1S/C13H20ClN3O2S/c1-9(2)4-6-17(12(19)10(3)14)8-11(18)16-13-15-5-7-20-13/h5,7,9-10H,4,6,8H2,1-3H3,(H,15,16,18)
InChIKeyCPHSFMARSCCVOO-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.58
Rot. Bonds7

About 2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide

2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide (PubChem CID 3412435) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is 2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
PubChem CID3412435
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC Name2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
SMILESCC(C)CCN(CC(=O)Nc1nccs1)C(=O)C(C)Cl
InChIInChI=1S/C13H20ClN3O2S/c1-9(2)4-6-17(12(19)10(3)14)8-11(18)16-13-15-5-7-20-13/h5,7,9-10H,4,6,8H2,1-3H3,(H,15,16,18)
InChIKeyCPHSFMARSCCVOO-UHFFFAOYSA-N
XLogP2.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide 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-chloro-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 4052949
2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 813261
2-chloro-N-(3-methylbutyl)-4-nitro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 3567850
2,4-dimethoxy-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 3559563
2-chloro-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 4167041
3,5,5-trimethyl-N-(2-methylpropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide
CID 4550970
N',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide
CID 47263950
3-[[(2R)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium
CID 7411294
2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 3528665
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 47123380
2-chloro-N,N-bis(3-methylbutyl)propanamide
CID 60718201
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide?
The IUPAC name of 2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide (CID 3412435) is 2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide.
What is the SMILES notation for 2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide?
The canonical SMILES for 2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide is CC(C)CCN(CC(=O)Nc1nccs1)C(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide?
The InChIKey is CPHSFMARSCCVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c1-9(2)4-6-17(12(19)10(3)14)8-11(18)16-13-15-5-7-20-13/h5,7,9-10H,4,6,8H2,1-3H3,(H,15,16,18).
What are the key properties of 2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide?
2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide has a molecular weight of 317.84 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 3412435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).