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

C10H8ClFN2S — CID 4788584

IUPACN-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C10H8ClFN2S/c1-6-5-15-10(13-6)14-7-2-3-9(12)8(11)4-7/h2-5H,1H3,(H,13,14)
InChIKeyKGKVRRJEDBIEGG-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.99
Rot. Bonds2

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

N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 4788584) has the molecular formula C10H8ClFN2S and a molecular weight of 242.71 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID4788584
Molecular FormulaC10H8ClFN2S
Molecular Weight242.71 g/mol
Exact Mass242.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C10H8ClFN2S/c1-6-5-15-10(13-6)14-7-2-3-9(12)8(11)4-7/h2-5H,1H3,(H,13,14)
InChIKeyKGKVRRJEDBIEGG-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.99
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-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-2-amine (CID 4788584) is N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-2-amine is Cc1csc(Nc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is KGKVRRJEDBIEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2S/c1-6-5-15-10(13-6)14-7-2-3-9(12)8(11)4-7/h2-5H,1H3,(H,13,14).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-2-amine?
N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 242.71 g/mol, XLogP of 3.99, 2 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-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 4788584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).