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

C12H11FN2O2S — CID 170671221

IUPAC[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl carbamate
SMILESCc1ncsc1-c1ccc(COC(N)=O)c(F)c1
InChIInChI=1S/C12H11FN2O2S/c1-7-11(18-6-15-7)8-2-3-9(10(13)4-8)5-17-12(14)16/h2-4,6H,5H2,1H3,(H2,14,16)
InChIKeyHFDVZUOQUGHJLG-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.85
Rot. Bonds3

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

[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl carbamate (PubChem CID 170671221) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is [2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl carbamate.

Molecular Properties

Compound Name[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl carbamate
PubChem CID170671221
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl carbamate
SMILESCc1ncsc1-c1ccc(COC(N)=O)c(F)c1
InChIInChI=1S/C12H11FN2O2S/c1-7-11(18-6-15-7)8-2-3-9(10(13)4-8)5-17-12(14)16/h2-4,6H,5H2,1H3,(H2,14,16)
InChIKeyHFDVZUOQUGHJLG-UHFFFAOYSA-N
XLogP2.85
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl carbamate?
The IUPAC name of [2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl carbamate (CID 170671221) is [2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl carbamate.
What is the SMILES notation for [2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl carbamate?
The canonical SMILES for [2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl carbamate is Cc1ncsc1-c1ccc(COC(N)=O)c(F)c1.
What is the InChIKey of [2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl carbamate?
The InChIKey is HFDVZUOQUGHJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-7-11(18-6-15-7)8-2-3-9(10(13)4-8)5-17-12(14)16/h2-4,6H,5H2,1H3,(H2,14,16).
What are the key properties of [2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl carbamate?
[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl carbamate has a molecular weight of 266.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl carbamate is sourced from PubChem (CID 170671221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).