5-(1-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole

C7H7ClF3NS — CID 130480283

IUPAC5-(1-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCCC(Cl)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H7ClF3NS/c1-2-4(8)5-3-12-6(13-5)7(9,10)11/h3-4H,2H2,1H3
InChIKeyRNQCWPKCPXRVAX-UHFFFAOYSA-N
MW229.65 g/mol
LogP3.85
Rot. Bonds2

About 5-(1-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole

5-(1-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 130480283) has the molecular formula C7H7ClF3NS and a molecular weight of 229.65 g/mol. Its IUPAC name is 5-(1-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID130480283
Molecular FormulaC7H7ClF3NS
Molecular Weight229.65 g/mol
Exact Mass228.99
IUPAC Name5-(1-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCCC(Cl)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H7ClF3NS/c1-2-4(8)5-3-12-6(13-5)7(9,10)11/h3-4H,2H2,1H3
InChIKeyRNQCWPKCPXRVAX-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.65
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dipropylthiazole
CID 588151
Thiazole, 5-propyl-
CID 40379
5-(Chloromethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 15171128
2-Chloro-5-(1-chloroethyl)thiazole
CID 21698297
5-(Chloromethyl)-2-(difluoromethyl)-1,3-thiazole
CID 21698301
2-Chloro-5-(1,1-difluoroethyl)-1,3-thiazole
CID 155822051
2-Methyl-5-propylthiazole
CID 574547
2-(Chloromethyl)-5-ethyl-1,3-thiazole
CID 62922540
5-(Chloromethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 65575265
5-(Chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole
CID 155943455
5-Methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole
CID 20725638
5-(Chloromethyl)-2-(1,1,2,2-tetrafluoroethyl)-1,3-thiazole
CID 21698029

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(1-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole (CID 130480283) is 5-(1-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(1-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(1-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole is CCC(Cl)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-(1-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is RNQCWPKCPXRVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3NS/c1-2-4(8)5-3-12-6(13-5)7(9,10)11/h3-4H,2H2,1H3.
What are the key properties of 5-(1-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole?
5-(1-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 229.65 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloropropyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 130480283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).