(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamic acid

C5H5FN2O2S — CID 118109021

IUPAC(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamic acid
SMILESCc1nc(NC(=O)O)sc1F
InChIInChI=1S/C5H5FN2O2S/c1-2-3(6)11-4(7-2)8-5(9)10/h1H3,(H,7,8)(H,9,10)
InChIKeyDAIHSVGCCSXEJQ-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.68
Rot. Bonds1

About (5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamic acid

(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamic acid (PubChem CID 118109021) has the molecular formula C5H5FN2O2S and a molecular weight of 176.17 g/mol. Its IUPAC name is (5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamic acid.

Molecular Properties

Compound Name(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamic acid
PubChem CID118109021
Molecular FormulaC5H5FN2O2S
Molecular Weight176.17 g/mol
Exact Mass176.01
IUPAC Name(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamic acid
SMILESCc1nc(NC(=O)O)sc1F
InChIInChI=1S/C5H5FN2O2S/c1-2-3(6)11-4(7-2)8-5(9)10/h1H3,(H,7,8)(H,9,10)
InChIKeyDAIHSVGCCSXEJQ-UHFFFAOYSA-N
XLogP1.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl (5-fluoro-4-methylthiazol-2-yl)carbamate
CID 45117835
[4-(Fluoromethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87536540
[4-(Trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87545584
[5-Fluoro-4-[[methoxy(methyl)amino]methyl]-1,3-thiazol-2-yl]carbamic acid
CID 118097239
(5-Fluoro-4-formyl-1,3-thiazol-2-yl)carbamic acid
CID 118097259
N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)but-2-ynamide
CID 130679471
N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)acetamide
CID 130735422
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 152781288
(4-Methyl-1,3-thiazol-2-yl)carbamic acid
CID 87277603
(4-Ethyl-5-methylsulfanyl-1,3-thiazol-2-yl)carbamic acid
CID 87456423
[4-(Propylsulfanylmethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87536655
(5-Chloro-4-methyl-1,3-thiazol-2-yl)carbamic acid
CID 87580913

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamic acid?
The IUPAC name of (5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamic acid (CID 118109021) is (5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamic acid.
What is the SMILES notation for (5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamic acid?
The canonical SMILES for (5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamic acid is Cc1nc(NC(=O)O)sc1F.
What is the InChIKey of (5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamic acid?
The InChIKey is DAIHSVGCCSXEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2S/c1-2-3(6)11-4(7-2)8-5(9)10/h1H3,(H,7,8)(H,9,10).
What are the key properties of (5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamic acid?
(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamic acid has a molecular weight of 176.17 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamic acid is sourced from PubChem (CID 118109021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).