(2,6-difluorophenyl)-(1,3-thiazol-5-yl)carbamic acid

C10H6F2N2O2S — CID 174737769

IUPAC(2,6-difluorophenyl)-(1,3-thiazol-5-yl)carbamic acid
SMILESO=C(O)N(c1cncs1)c1c(F)cccc1F
InChIInChI=1S/C10H6F2N2O2S/c11-6-2-1-3-7(12)9(6)14(10(15)16)8-4-13-5-17-8/h1-5H,(H,15,16)
InChIKeyKZJKVVDQHMAXJI-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.24
Rot. Bonds2

About (2,6-difluorophenyl)-(1,3-thiazol-5-yl)carbamic acid

(2,6-difluorophenyl)-(1,3-thiazol-5-yl)carbamic acid (PubChem CID 174737769) has the molecular formula C10H6F2N2O2S and a molecular weight of 256.23 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(1,3-thiazol-5-yl)carbamic acid.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(1,3-thiazol-5-yl)carbamic acid
PubChem CID174737769
Molecular FormulaC10H6F2N2O2S
Molecular Weight256.23 g/mol
Exact Mass256.01
IUPAC Name(2,6-difluorophenyl)-(1,3-thiazol-5-yl)carbamic acid
SMILESO=C(O)N(c1cncs1)c1c(F)cccc1F
InChIInChI=1S/C10H6F2N2O2S/c11-6-2-1-3-7(12)9(6)14(10(15)16)8-4-13-5-17-8/h1-5H,(H,15,16)
InChIKeyKZJKVVDQHMAXJI-UHFFFAOYSA-N
XLogP3.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(1,3-thiazol-5-yl)carbamic acid?
The IUPAC name of (2,6-difluorophenyl)-(1,3-thiazol-5-yl)carbamic acid (CID 174737769) is (2,6-difluorophenyl)-(1,3-thiazol-5-yl)carbamic acid.
What is the SMILES notation for (2,6-difluorophenyl)-(1,3-thiazol-5-yl)carbamic acid?
The canonical SMILES for (2,6-difluorophenyl)-(1,3-thiazol-5-yl)carbamic acid is O=C(O)N(c1cncs1)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-(1,3-thiazol-5-yl)carbamic acid?
The InChIKey is KZJKVVDQHMAXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O2S/c11-6-2-1-3-7(12)9(6)14(10(15)16)8-4-13-5-17-8/h1-5H,(H,15,16).
What are the key properties of (2,6-difluorophenyl)-(1,3-thiazol-5-yl)carbamic acid?
(2,6-difluorophenyl)-(1,3-thiazol-5-yl)carbamic acid has a molecular weight of 256.23 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(1,3-thiazol-5-yl)carbamic acid is sourced from PubChem (CID 174737769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).