2-chloro-N-[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

C7H5ClF3IN2OS — CID 57021058

IUPAC2-chloro-N-[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(Cl)C(=O)Nc1nc(C(F)(F)F)c(I)s1
InChIInChI=1S/C7H5ClF3IN2OS/c1-2(8)5(15)14-6-13-3(4(12)16-6)7(9,10)11/h2H,1H3,(H,13,14,15)
InChIKeyOZSFCHVVRYYGDJ-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.33
Rot. Bonds2

About 2-chloro-N-[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

2-chloro-N-[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 57021058) has the molecular formula C7H5ClF3IN2OS and a molecular weight of 384.55 g/mol. Its IUPAC name is 2-chloro-N-[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID57021058
Molecular FormulaC7H5ClF3IN2OS
Molecular Weight384.55 g/mol
Exact Mass383.88
IUPAC Name2-chloro-N-[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(Cl)C(=O)Nc1nc(C(F)(F)F)c(I)s1
InChIInChI=1S/C7H5ClF3IN2OS/c1-2(8)5(15)14-6-13-3(4(12)16-6)7(9,10)11/h2H,1H3,(H,13,14,15)
InChIKeyOZSFCHVVRYYGDJ-UHFFFAOYSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-Chloro-4-methyl-2-thiazolyl)propanamide
CID 84102
N-(5-Iodo-4-methyl-2-thiazolyl)acetamide
CID 57417074
N-[4-(difluoromethyl)-5-iodo-1,3-thiazol-2-yl]acetamide
CID 155193936
2-Acetamido-5-chloro-4-chloromethylthiazole
CID 20482441
N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)acetamide
CID 178198
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide
CID 43140246
N-[5-chloro-4-(iodomethyl)-1,3-thiazol-2-yl]acetamide
CID 86198854
N-(5-iodo-4-methyl-1,3-thiazol-2-yl)propanamide
CID 132240087
2-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)acetamide
CID 130616641

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-chloro-N-[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 57021058) is 2-chloro-N-[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-chloro-N-[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-chloro-N-[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is CC(Cl)C(=O)Nc1nc(C(F)(F)F)c(I)s1.
What is the InChIKey of 2-chloro-N-[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is OZSFCHVVRYYGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3IN2OS/c1-2(8)5(15)14-6-13-3(4(12)16-6)7(9,10)11/h2H,1H3,(H,13,14,15).
What are the key properties of 2-chloro-N-[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
2-chloro-N-[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 384.55 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 57021058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).