3-(2-chloro-2-fluoroacetyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide

C10H16ClFN2O2S — CID 166427848

IUPAC3-(2-chloro-2-fluoroacetyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CSCN1C(=O)C(F)Cl
InChIInChI=1S/C10H16ClFN2O2S/c1-6(2)13(3)9(15)7-4-17-5-14(7)10(16)8(11)12/h6-8H,4-5H2,1-3H3
InChIKeyUSKZAVLDEYCNIM-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.29
Rot. Bonds3

About 3-(2-chloro-2-fluoroacetyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide

3-(2-chloro-2-fluoroacetyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 166427848) has the molecular formula C10H16ClFN2O2S and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-(2-chloro-2-fluoroacetyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-2-fluoroacetyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
PubChem CID166427848
Molecular FormulaC10H16ClFN2O2S
Molecular Weight282.77 g/mol
Exact Mass282.06
IUPAC Name3-(2-chloro-2-fluoroacetyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CSCN1C(=O)C(F)Cl
InChIInChI=1S/C10H16ClFN2O2S/c1-6(2)13(3)9(15)7-4-17-5-14(7)10(16)8(11)12/h6-8H,4-5H2,1-3H3
InChIKeyUSKZAVLDEYCNIM-UHFFFAOYSA-N
XLogP1.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-N-methyl-N-propan-2-yl-3-[4-(trifluoromethylsulfonyl)benzoyl]-1,3-thiazolidine-4-carboxamide
CID 95271784
5-[4-[methyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid
CID 119127697
(4S)-3-(isoquinoline-1-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 95282188
(4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 95302302
3-(6-chloro-4-methyl-1H-indole-2-carbonyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 154872884
(2R)-3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 129345820
3-[2-(1-benzofuran-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 71979463
3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 24702600
(4R)-3-(2,3-dichlorobenzoyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 95174306
3-(4-amino-2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 80542987
3-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61455654
2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid
CID 119172118

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-2-fluoroacetyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(2-chloro-2-fluoroacetyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide (CID 166427848) is 3-(2-chloro-2-fluoroacetyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(2-chloro-2-fluoroacetyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(2-chloro-2-fluoroacetyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide is CC(C)N(C)C(=O)C1CSCN1C(=O)C(F)Cl.
What is the InChIKey of 3-(2-chloro-2-fluoroacetyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is USKZAVLDEYCNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClFN2O2S/c1-6(2)13(3)9(15)7-4-17-5-14(7)10(16)8(11)12/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-(2-chloro-2-fluoroacetyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide?
3-(2-chloro-2-fluoroacetyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-2-fluoroacetyl)-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 166427848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).