5-[(3-fluorophenyl)methyl]-1,2-thiazol-3-amine

C10H9FN2S — CID 112716202

IUPAC5-[(3-fluorophenyl)methyl]-1,2-thiazol-3-amine
SMILESNc1cc(Cc2cccc(F)c2)sn1
InChIInChI=1S/C10H9FN2S/c11-8-3-1-2-7(4-8)5-9-6-10(12)13-14-9/h1-4,6H,5H2,(H2,12,13)
InChIKeyHRPWBFKFIRFLQT-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.46
Rot. Bonds2

About 5-[(3-fluorophenyl)methyl]-1,2-thiazol-3-amine

5-[(3-fluorophenyl)methyl]-1,2-thiazol-3-amine (PubChem CID 112716202) has the molecular formula C10H9FN2S and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-1,2-thiazol-3-amine
PubChem CID112716202
Molecular FormulaC10H9FN2S
Molecular Weight208.26 g/mol
Exact Mass208.05
IUPAC Name5-[(3-fluorophenyl)methyl]-1,2-thiazol-3-amine
SMILESNc1cc(Cc2cccc(F)c2)sn1
InChIInChI=1S/C10H9FN2S/c11-8-3-1-2-7(4-8)5-9-6-10(12)13-14-9/h1-4,6H,5H2,(H2,12,13)
InChIKeyHRPWBFKFIRFLQT-UHFFFAOYSA-N
XLogP2.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-fluorophenyl)methyl]-1,2-thiazol-3-amine
CID 112716201
2-[(3-fluorophenyl)methyl]aniline
CID 105453525
5-chloro-3-[(3-fluorophenyl)methylsulfanyl]-1,2,4-thiadiazole
CID 75360656
3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 65269198
6-tert-butyl-2-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 62192622
2-[(3-fluorophenyl)methyl]-1,3-benzoxazol-4-amine
CID 79022264
4-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-2,5-diamine
CID 130451115
3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine
CID 115092972
4-N-[(3-fluorophenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80765017
3-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65345653
5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride
CID 122163567
2-[(3-fluorophenyl)methyl]-5-methylaniline
CID 105468725

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-1,2-thiazol-3-amine?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-1,2-thiazol-3-amine (CID 112716202) is 5-[(3-fluorophenyl)methyl]-1,2-thiazol-3-amine.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-1,2-thiazol-3-amine?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-1,2-thiazol-3-amine is Nc1cc(Cc2cccc(F)c2)sn1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-1,2-thiazol-3-amine?
The InChIKey is HRPWBFKFIRFLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2S/c11-8-3-1-2-7(4-8)5-9-6-10(12)13-14-9/h1-4,6H,5H2,(H2,12,13).
What are the key properties of 5-[(3-fluorophenyl)methyl]-1,2-thiazol-3-amine?
5-[(3-fluorophenyl)methyl]-1,2-thiazol-3-amine has a molecular weight of 208.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-1,2-thiazol-3-amine is sourced from PubChem (CID 112716202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).