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

C9H6ClFN2S — CID 83911404

IUPAC4-chloro-3-(3-fluorophenyl)-1,2-thiazol-5-amine
SMILESNc1snc(-c2cccc(F)c2)c1Cl
InChIInChI=1S/C9H6ClFN2S/c10-7-8(13-14-9(7)12)5-2-1-3-6(11)4-5/h1-4H,12H2
InChIKeySWNADINUVWHYGL-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.18
Rot. Bonds1

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

4-chloro-3-(3-fluorophenyl)-1,2-thiazol-5-amine (PubChem CID 83911404) has the molecular formula C9H6ClFN2S and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-chloro-3-(3-fluorophenyl)-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-chloro-3-(3-fluorophenyl)-1,2-thiazol-5-amine
PubChem CID83911404
Molecular FormulaC9H6ClFN2S
Molecular Weight228.68 g/mol
Exact Mass227.99
IUPAC Name4-chloro-3-(3-fluorophenyl)-1,2-thiazol-5-amine
SMILESNc1snc(-c2cccc(F)c2)c1Cl
InChIInChI=1S/C9H6ClFN2S/c10-7-8(13-14-9(7)12)5-2-1-3-6(11)4-5/h1-4H,12H2
InChIKeySWNADINUVWHYGL-UHFFFAOYSA-N
XLogP3.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-(3-fluorophenyl)-1,2-thiazol-5-amine
CID 83913752
2-chloro-4,5-bis(3-fluorophenyl)-1,3-thiazole
CID 21409148
3-chloro-4-(3-fluorophenyl)-2-methylaniline
CID 171916548
4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine
CID 62501532
4-chloro-2-(3-fluorophenyl)aniline
CID 81275314
4-amino-3-(3-fluorophenyl)-N-pentyl-1,2-thiazole-5-carboxamide
CID 52906064
4-chloro-3-(3-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 21071142
2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 83535265
2,3-bis(3-fluorophenyl)quinoxaline
CID 5127743
5-(3-fluorophenyl)pyridazin-4-amine
CID 117127407
2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine
CID 83107881
6-(3-fluorophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 158796576

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-fluorophenyl)-1,2-thiazol-5-amine?
The IUPAC name of 4-chloro-3-(3-fluorophenyl)-1,2-thiazol-5-amine (CID 83911404) is 4-chloro-3-(3-fluorophenyl)-1,2-thiazol-5-amine.
What is the SMILES notation for 4-chloro-3-(3-fluorophenyl)-1,2-thiazol-5-amine?
The canonical SMILES for 4-chloro-3-(3-fluorophenyl)-1,2-thiazol-5-amine is Nc1snc(-c2cccc(F)c2)c1Cl.
What is the InChIKey of 4-chloro-3-(3-fluorophenyl)-1,2-thiazol-5-amine?
The InChIKey is SWNADINUVWHYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2S/c10-7-8(13-14-9(7)12)5-2-1-3-6(11)4-5/h1-4H,12H2.
What are the key properties of 4-chloro-3-(3-fluorophenyl)-1,2-thiazol-5-amine?
4-chloro-3-(3-fluorophenyl)-1,2-thiazol-5-amine has a molecular weight of 228.68 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-fluorophenyl)-1,2-thiazol-5-amine is sourced from PubChem (CID 83911404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).