1-cyclopropyloxy-2,4-difluorobenzene;1,3-thiazol-2-ylcarbamic acid

C13H12F2N2O3S — CID 88542127

IUPAC1-cyclopropyloxy-2,4-difluorobenzene;1,3-thiazol-2-ylcarbamic acid
SMILESFc1ccc(OC2CC2)c(F)c1.O=C(O)Nc1nccs1
InChIInChI=1S/C9H8F2O.C4H4N2O2S/c10-6-1-4-9(8(11)5-6)12-7-2-3-7;7-4(8)6-3-5-1-2-9-3/h1,4-5,7H,2-3H2;1-2H,(H,5,6)(H,7,8)
InChIKeyWVLQNMAOBFOXCU-UHFFFAOYSA-N
MW314.31 g/mol
LogP3.74
Rot. Bonds3

About 1-cyclopropyloxy-2,4-difluorobenzene;1,3-thiazol-2-ylcarbamic acid

1-cyclopropyloxy-2,4-difluorobenzene;1,3-thiazol-2-ylcarbamic acid (PubChem CID 88542127) has the molecular formula C13H12F2N2O3S and a molecular weight of 314.31 g/mol. Its IUPAC name is 1-cyclopropyloxy-2,4-difluorobenzene;1,3-thiazol-2-ylcarbamic acid.

Molecular Properties

Compound Name1-cyclopropyloxy-2,4-difluorobenzene;1,3-thiazol-2-ylcarbamic acid
PubChem CID88542127
Molecular FormulaC13H12F2N2O3S
Molecular Weight314.31 g/mol
Exact Mass314.05
IUPAC Name1-cyclopropyloxy-2,4-difluorobenzene;1,3-thiazol-2-ylcarbamic acid
SMILESFc1ccc(OC2CC2)c(F)c1.O=C(O)Nc1nccs1
InChIInChI=1S/C9H8F2O.C4H4N2O2S/c10-6-1-4-9(8(11)5-6)12-7-2-3-7;7-4(8)6-3-5-1-2-9-3/h1,4-5,7H,2-3H2;1-2H,(H,5,6)(H,7,8)
InChIKeyWVLQNMAOBFOXCU-UHFFFAOYSA-N
XLogP3.74
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyloxy-2,4-difluorobenzene;1,3-thiazol-2-ylcarbamic acid?
The IUPAC name of 1-cyclopropyloxy-2,4-difluorobenzene;1,3-thiazol-2-ylcarbamic acid (CID 88542127) is 1-cyclopropyloxy-2,4-difluorobenzene;1,3-thiazol-2-ylcarbamic acid.
What is the SMILES notation for 1-cyclopropyloxy-2,4-difluorobenzene;1,3-thiazol-2-ylcarbamic acid?
The canonical SMILES for 1-cyclopropyloxy-2,4-difluorobenzene;1,3-thiazol-2-ylcarbamic acid is Fc1ccc(OC2CC2)c(F)c1.O=C(O)Nc1nccs1.
What is the InChIKey of 1-cyclopropyloxy-2,4-difluorobenzene;1,3-thiazol-2-ylcarbamic acid?
The InChIKey is WVLQNMAOBFOXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O.C4H4N2O2S/c10-6-1-4-9(8(11)5-6)12-7-2-3-7;7-4(8)6-3-5-1-2-9-3/h1,4-5,7H,2-3H2;1-2H,(H,5,6)(H,7,8).
What are the key properties of 1-cyclopropyloxy-2,4-difluorobenzene;1,3-thiazol-2-ylcarbamic acid?
1-cyclopropyloxy-2,4-difluorobenzene;1,3-thiazol-2-ylcarbamic acid has a molecular weight of 314.31 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyloxy-2,4-difluorobenzene;1,3-thiazol-2-ylcarbamic acid is sourced from PubChem (CID 88542127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).