5-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

C9H9FN2S — CID 123344086

IUPAC5-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NCC(c2ccc(F)cc2)S1
InChIInChI=1S/C9H9FN2S/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-4,8H,5H2,(H2,11,12)
InChIKeyMBQYJRSYBRNFNU-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.93
Rot. Bonds1

About 5-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

5-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 123344086) has the molecular formula C9H9FN2S and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID123344086
Molecular FormulaC9H9FN2S
Molecular Weight196.25 g/mol
Exact Mass196.05
IUPAC Name5-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NCC(c2ccc(F)cc2)S1
InChIInChI=1S/C9H9FN2S/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-4,8H,5H2,(H2,11,12)
InChIKeyMBQYJRSYBRNFNU-UHFFFAOYSA-N
XLogP1.93
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2966629
(4,5-Dihydro-thiazol-2-yl)-phenethyl-amine
CID 2404807
4,4-dimethyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 135465266
4H-1,3-Thiazin-2-amine, 5,6-dihydro-N-(2-phenylethyl)-
CID 2363238
N-(4-fluorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2997276
2-phenylethyl N'-cyano-N-prop-2-en-1-ylcarbamimidothioate
CID 660478
(2-fluorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate
CID 660679
benzyl N-cyano-N'-prop-2-enylcarbamimidothioate
CID 5100562
2-{[(2-fluorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 573297
3-({[(4-Fluorophenyl)methyl]sulfanyl}methanimidoyl)guanidine
CID 11995528
(4s)-4-(2,4-Difluorophenyl)-4-Methyl-5,6-Dihydro-4h-1,3-Thiazin-2-Amine
CID 90657111
(5r)-5-Methyl-N-(2-Phenylethyl)-4,5-Dihydro-1,3-Thiazol-2-Amine
CID 934585

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 123344086) is 5-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is NC1=NCC(c2ccc(F)cc2)S1.
What is the InChIKey of 5-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MBQYJRSYBRNFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2S/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-4,8H,5H2,(H2,11,12).
What are the key properties of 5-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 196.25 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 123344086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).