[3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine

C11H11FN2S2 — CID 102818678

IUPAC[3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCc1csc(Sc2cc(F)cc(CN)c2)n1
InChIInChI=1S/C11H11FN2S2/c1-7-6-15-11(14-7)16-10-3-8(5-13)2-9(12)4-10/h2-4,6H,5,13H2,1H3
InChIKeyHRLZFOAUKIGEMW-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.20
Rot. Bonds3

About [3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine

[3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine (PubChem CID 102818678) has the molecular formula C11H11FN2S2 and a molecular weight of 254.36 g/mol. Its IUPAC name is [3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
PubChem CID102818678
Molecular FormulaC11H11FN2S2
Molecular Weight254.36 g/mol
Exact Mass254.03
IUPAC Name[3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCc1csc(Sc2cc(F)cc(CN)c2)n1
InChIInChI=1S/C11H11FN2S2/c1-7-6-15-11(14-7)16-10-3-8(5-13)2-9(12)4-10/h2-4,6H,5,13H2,1H3
InChIKeyHRLZFOAUKIGEMW-UHFFFAOYSA-N
XLogP3.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanol
CID 106533853
[3-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanamine
CID 102818800
[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
CID 114769866
[5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
CID 80639950
[2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
CID 62944053
[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 63289440
3-[3-(aminomethyl)-5-fluorophenyl]sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107783367
2-[3-fluoro-5-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine
CID 106534174
4-methyl-2-(4-methylphenyl)sulfanyl-1,3-thiazole
CID 25496142
4-amino-2-[3-(aminomethyl)-5-fluorophenyl]sulfanyl-1H-pyrimidin-6-one
CID 136955856
[3-fluoro-5-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine
CID 102818754
2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole
CID 164647838

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine?
The IUPAC name of [3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine (CID 102818678) is [3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine is Cc1csc(Sc2cc(F)cc(CN)c2)n1.
What is the InChIKey of [3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine?
The InChIKey is HRLZFOAUKIGEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S2/c1-7-6-15-11(14-7)16-10-3-8(5-13)2-9(12)4-10/h2-4,6H,5,13H2,1H3.
What are the key properties of [3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine?
[3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine has a molecular weight of 254.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine is sourced from PubChem (CID 102818678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).