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

C13H13FN2O2S — CID 139531198

IUPAC1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid
SMILESCc1ncsc1-c1ccc(C(C)NC(=O)O)c(F)c1
InChIInChI=1S/C13H13FN2O2S/c1-7(16-13(17)18)10-4-3-9(5-11(10)14)12-8(2)15-6-19-12/h3-7,16H,1-2H3,(H,17,18)
InChIKeyNMTXBGIUNOFKCT-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.59
Rot. Bonds3

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

1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid (PubChem CID 139531198) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid.

Molecular Properties

Compound Name1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid
PubChem CID139531198
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid
SMILESCc1ncsc1-c1ccc(C(C)NC(=O)O)c(F)c1
InChIInChI=1S/C13H13FN2O2S/c1-7(16-13(17)18)10-4-3-9(5-11(10)14)12-8(2)15-6-19-12/h3-7,16H,1-2H3,(H,17,18)
InChIKeyNMTXBGIUNOFKCT-UHFFFAOYSA-N
XLogP3.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-N-[(1S)-1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 170699658
[(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
CID 174157567
N-[(1S)-1-[2-hydroxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 153320559
tert-butyl N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethyl]carbamate
CID 168896471
[(1R)-1-[4-(2-chloro-5-fluoro-4-pyridinyl)-2-methylphenyl]ethyl]carbamic acid
CID 155288648
formaldehyde;N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 163374182
(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
CID 156873324
[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]carbamic acid
CID 141420559
(3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide
CID 154979709
methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168909958
1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-[1-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 171103613
ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid?
The IUPAC name of 1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid (CID 139531198) is 1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid.
What is the SMILES notation for 1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid?
The canonical SMILES for 1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid is Cc1ncsc1-c1ccc(C(C)NC(=O)O)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid?
The InChIKey is NMTXBGIUNOFKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-7(16-13(17)18)10-4-3-9(5-11(10)14)12-8(2)15-6-19-12/h3-7,16H,1-2H3,(H,17,18).
What are the key properties of 1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid?
1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid has a molecular weight of 280.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid is sourced from PubChem (CID 139531198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).