[4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methanethiol

C15H16FNOS2 — CID 82437168

IUPAC[4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methanethiol
SMILESFc1ccccc1OCCc1nc(C2CC2)c(CS)s1
InChIInChI=1S/C15H16FNOS2/c16-11-3-1-2-4-12(11)18-8-7-14-17-15(10-5-6-10)13(9-19)20-14/h1-4,10,19H,5-9H2
InChIKeyUZCSKMHMCXRLNA-UHFFFAOYSA-N
MW309.43 g/mol
LogP4.21
Rot. Bonds6

About [4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methanethiol

[4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methanethiol (PubChem CID 82437168) has the molecular formula C15H16FNOS2 and a molecular weight of 309.43 g/mol. Its IUPAC name is [4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methanethiol.

Molecular Properties

Compound Name[4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methanethiol
PubChem CID82437168
Molecular FormulaC15H16FNOS2
Molecular Weight309.43 g/mol
Exact Mass309.07
IUPAC Name[4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methanethiol
SMILESFc1ccccc1OCCc1nc(C2CC2)c(CS)s1
InChIInChI=1S/C15H16FNOS2/c16-11-3-1-2-4-12(11)18-8-7-14-17-15(10-5-6-10)13(9-19)20-14/h1-4,10,19H,5-9H2
InChIKeyUZCSKMHMCXRLNA-UHFFFAOYSA-N
XLogP4.21
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437164
[4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine
CID 82437103
[2-[2-(4-chlorophenoxy)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 82437189
[4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol
CID 82436940
1-[4-ethyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82429862
3-(2-fluorophenoxy)propane-1-thiol
CID 79001947
O-[2-(2-fluorophenoxy)ethyl]hydroxylamine
CID 11019312
N-[[2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82423969
1-[4-cyclopropyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82436579
[4-cyclopropyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanethiol
CID 82436819
2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82436107
4-[2-(2-fluorophenoxy)ethyl]phenol
CID 154643282

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methanethiol?
The IUPAC name of [4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methanethiol (CID 82437168) is [4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methanethiol.
What is the SMILES notation for [4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methanethiol?
The canonical SMILES for [4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methanethiol is Fc1ccccc1OCCc1nc(C2CC2)c(CS)s1.
What is the InChIKey of [4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methanethiol?
The InChIKey is UZCSKMHMCXRLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS2/c16-11-3-1-2-4-12(11)18-8-7-14-17-15(10-5-6-10)13(9-19)20-14/h1-4,10,19H,5-9H2.
What are the key properties of [4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methanethiol?
[4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methanethiol has a molecular weight of 309.43 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methanethiol is sourced from PubChem (CID 82437168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).