4-chloro-5-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzene-1,3-diamine

C10H9ClFN3S2 — CID 103553856

IUPAC4-chloro-5-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzene-1,3-diamine
SMILESCc1csc(Sc2c(N)cc(N)c(Cl)c2F)n1
InChIInChI=1S/C10H9ClFN3S2/c1-4-3-16-10(15-4)17-9-6(14)2-5(13)7(11)8(9)12/h2-3H,13-14H2,1H3
InChIKeyLEIAYJFOHPFQHA-UHFFFAOYSA-N
MW289.79 g/mol
LogP3.56
Rot. Bonds2

About 4-chloro-5-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzene-1,3-diamine

4-chloro-5-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzene-1,3-diamine (PubChem CID 103553856) has the molecular formula C10H9ClFN3S2 and a molecular weight of 289.79 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzene-1,3-diamine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzene-1,3-diamine
PubChem CID103553856
Molecular FormulaC10H9ClFN3S2
Molecular Weight289.79 g/mol
Exact Mass288.99
IUPAC Name4-chloro-5-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzene-1,3-diamine
SMILESCc1csc(Sc2c(N)cc(N)c(Cl)c2F)n1
InChIInChI=1S/C10H9ClFN3S2/c1-4-3-16-10(15-4)17-9-6(14)2-5(13)7(11)8(9)12/h2-3H,13-14H2,1H3
InChIKeyLEIAYJFOHPFQHA-UHFFFAOYSA-N
XLogP3.56
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,3-diamine
CID 103553925
4-chloro-5-fluoro-6-propan-2-ylsulfanylbenzene-1,3-diamine
CID 103553880
5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridin-4-amine
CID 83269254
4-chloro-6-(3,4-difluorophenyl)sulfanyl-5-fluorobenzene-1,3-diamine
CID 103553867
4-chloro-5-fluoro-6-(3-methylbutan-2-ylsulfanyl)benzene-1,3-diamine
CID 107747951
2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole
CID 164647838
2-[(2-chloro-4-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole
CID 63779009
4-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzamide
CID 63356632
2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80962639
4-butan-2-ylsulfanyl-6-chloro-5-fluorobenzene-1,3-diamine
CID 103553859
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole
CID 134065458
[3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
CID 102818678

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzene-1,3-diamine?
The IUPAC name of 4-chloro-5-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzene-1,3-diamine (CID 103553856) is 4-chloro-5-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzene-1,3-diamine.
What is the SMILES notation for 4-chloro-5-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzene-1,3-diamine?
The canonical SMILES for 4-chloro-5-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzene-1,3-diamine is Cc1csc(Sc2c(N)cc(N)c(Cl)c2F)n1.
What is the InChIKey of 4-chloro-5-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzene-1,3-diamine?
The InChIKey is LEIAYJFOHPFQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3S2/c1-4-3-16-10(15-4)17-9-6(14)2-5(13)7(11)8(9)12/h2-3H,13-14H2,1H3.
What are the key properties of 4-chloro-5-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzene-1,3-diamine?
4-chloro-5-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzene-1,3-diamine has a molecular weight of 289.79 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzene-1,3-diamine is sourced from PubChem (CID 103553856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).