N-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

C10H11FN2S — CID 2731508

IUPACN-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(F)ccc1NC1=NCCS1
InChIInChI=1S/C10H11FN2S/c1-7-6-8(11)2-3-9(7)13-10-12-4-5-14-10/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyFUWXIXFHPRDTSQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.65
Rot. Bonds1

About N-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2731508) has the molecular formula C10H11FN2S and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2731508
Molecular FormulaC10H11FN2S
Molecular Weight210.28 g/mol
Exact Mass210.06
IUPAC NameN-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(F)ccc1NC1=NCCS1
InChIInChI=1S/C10H11FN2S/c1-7-6-8(11)2-3-9(7)13-10-12-4-5-14-10/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyFUWXIXFHPRDTSQ-UHFFFAOYSA-N
XLogP2.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 2731508) is N-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is Cc1cc(F)ccc1NC1=NCCS1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FUWXIXFHPRDTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2S/c1-7-6-8(11)2-3-9(7)13-10-12-4-5-14-10/h2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of N-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 210.28 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2731508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).