2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethylcarbamic acid

C12H11FN2O2S — CID 68925492

IUPAC2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethylcarbamic acid
SMILESO=C(O)NCCc1nc(-c2ccccc2F)cs1
InChIInChI=1S/C12H11FN2O2S/c13-9-4-2-1-3-8(9)10-7-18-11(15-10)5-6-14-12(16)17/h1-4,7,14H,5-6H2,(H,16,17)
InChIKeyMWERZGNCXCTAHP-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.76
Rot. Bonds4

About 2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethylcarbamic acid

2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethylcarbamic acid (PubChem CID 68925492) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethylcarbamic acid
PubChem CID68925492
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethylcarbamic acid
SMILESO=C(O)NCCc1nc(-c2ccccc2F)cs1
InChIInChI=1S/C12H11FN2O2S/c13-9-4-2-1-3-8(9)10-7-18-11(15-10)5-6-14-12(16)17/h1-4,7,14H,5-6H2,(H,16,17)
InChIKeyMWERZGNCXCTAHP-UHFFFAOYSA-N
XLogP2.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide
CID 127046715
[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylcarbamic acid
CID 68925488
N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 127048131
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962931
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126260
4-(2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 116969906
[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 63102619
2,4-difluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126257
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide
CID 127045820
1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 127048003
2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide
CID 56518615

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethylcarbamic acid?
The IUPAC name of 2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethylcarbamic acid (CID 68925492) is 2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethylcarbamic acid?
The canonical SMILES for 2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethylcarbamic acid is O=C(O)NCCc1nc(-c2ccccc2F)cs1.
What is the InChIKey of 2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethylcarbamic acid?
The InChIKey is MWERZGNCXCTAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-9-4-2-1-3-8(9)10-7-18-11(15-10)5-6-14-12(16)17/h1-4,7,14H,5-6H2,(H,16,17).
What are the key properties of 2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethylcarbamic acid?
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethylcarbamic acid has a molecular weight of 266.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethylcarbamic acid is sourced from PubChem (CID 68925492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).