4-[(2-amino-5-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-amine

C10H10FN3S2 — CID 79147621

IUPAC4-[(2-amino-5-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CSc2cc(F)ccc2N)cs1
InChIInChI=1S/C10H10FN3S2/c11-6-1-2-8(12)9(3-6)15-4-7-5-16-10(13)14-7/h1-3,5H,4,12H2,(H2,13,14)
InChIKeyYUVATCYLINOBNR-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.74
Rot. Bonds3

About 4-[(2-amino-5-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-amine

4-[(2-amino-5-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 79147621) has the molecular formula C10H10FN3S2 and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-[(2-amino-5-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2-amino-5-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID79147621
Molecular FormulaC10H10FN3S2
Molecular Weight255.34 g/mol
Exact Mass255.03
IUPAC Name4-[(2-amino-5-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CSc2cc(F)ccc2N)cs1
InChIInChI=1S/C10H10FN3S2/c11-6-1-2-8(12)9(3-6)15-4-7-5-16-10(13)14-7/h1-3,5H,4,12H2,(H2,13,14)
InChIKeyYUVATCYLINOBNR-UHFFFAOYSA-N
XLogP2.74
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.74
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

Sulfamethylthiazole
CID 68194
4-methyl-N-phenyl-1,3-thiazol-2-amine
CID 676722
4-((4-Methyl-1,3-thiazol-2-yl)sulfanyl)aniline
CID 28401695
2-(2-Amino-phenylsulfanyl)-N-(4,5-dimethyl-thiazol-2-yl)-acetamide
CID 651106
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-phenylthiourea
CID 874878
4-fluoro-N-[(Z)-(2-imino-4-methyl-5-thiazolylidene)amino]aniline
CID 4144510
Sulfamethylthiazole sodium
CID 23674485
N-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 686059
4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 122183917
4-Methyl-5-phenyldiazenyl-1,3-thiazol-2-amine
CID 3116940
2-Thiazolamine, N-(4-fluorophenyl)-4,5-dimethyl-
CID 956411
2-Sulphanilyl-amino-thiazole
CID 129671960

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2-amino-5-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-amine (CID 79147621) is 4-[(2-amino-5-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2-amino-5-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2-amino-5-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-amine is Nc1nc(CSc2cc(F)ccc2N)cs1.
What is the InChIKey of 4-[(2-amino-5-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is YUVATCYLINOBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S2/c11-6-1-2-8(12)9(3-6)15-4-7-5-16-10(13)14-7/h1-3,5H,4,12H2,(H2,13,14).
What are the key properties of 4-[(2-amino-5-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-amine?
4-[(2-amino-5-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 255.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79147621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).