N-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

C9H8ClFN2S — CID 934837

IUPACN-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1ccc(NC2=NCCS2)cc1Cl
InChIInChI=1S/C9H8ClFN2S/c10-7-5-6(1-2-8(7)11)13-9-12-3-4-14-9/h1-2,5H,3-4H2,(H,12,13)
InChIKeyGTWYXLBRYWONSP-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.99
Rot. Bonds1

About N-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 934837) has the molecular formula C9H8ClFN2S and a molecular weight of 230.69 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID934837
Molecular FormulaC9H8ClFN2S
Molecular Weight230.69 g/mol
Exact Mass230.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1ccc(NC2=NCCS2)cc1Cl
InChIInChI=1S/C9H8ClFN2S/c10-7-5-6(1-2-8(7)11)13-9-12-3-4-14-9/h1-2,5H,3-4H2,(H,12,13)
InChIKeyGTWYXLBRYWONSP-UHFFFAOYSA-N
XLogP2.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 934837) is N-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is Fc1ccc(NC2=NCCS2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GTWYXLBRYWONSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2S/c10-7-5-6(1-2-8(7)11)13-9-12-3-4-14-9/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 230.69 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 934837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).