(2-iodophenyl)-(1,3-thiazol-2-yl)carbamic acid

C10H7IN2O2S — CID 175420366

IUPAC(2-iodophenyl)-(1,3-thiazol-2-yl)carbamic acid
SMILESO=C(O)N(c1nccs1)c1ccccc1I
InChIInChI=1S/C10H7IN2O2S/c11-7-3-1-2-4-8(7)13(10(14)15)9-12-5-6-16-9/h1-6H,(H,14,15)
InChIKeyQQSCRUAQZXYGKI-UHFFFAOYSA-N
MW346.15 g/mol
LogP3.56
Rot. Bonds2

About (2-iodophenyl)-(1,3-thiazol-2-yl)carbamic acid

(2-iodophenyl)-(1,3-thiazol-2-yl)carbamic acid (PubChem CID 175420366) has the molecular formula C10H7IN2O2S and a molecular weight of 346.15 g/mol. Its IUPAC name is (2-iodophenyl)-(1,3-thiazol-2-yl)carbamic acid.

Molecular Properties

Compound Name(2-iodophenyl)-(1,3-thiazol-2-yl)carbamic acid
PubChem CID175420366
Molecular FormulaC10H7IN2O2S
Molecular Weight346.15 g/mol
Exact Mass345.93
IUPAC Name(2-iodophenyl)-(1,3-thiazol-2-yl)carbamic acid
SMILESO=C(O)N(c1nccs1)c1ccccc1I
InChIInChI=1S/C10H7IN2O2S/c11-7-3-1-2-4-8(7)13(10(14)15)9-12-5-6-16-9/h1-6H,(H,14,15)
InChIKeyQQSCRUAQZXYGKI-UHFFFAOYSA-N
XLogP3.56
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-(1,3-thiazol-2-yl)carbamic acid?
The IUPAC name of (2-iodophenyl)-(1,3-thiazol-2-yl)carbamic acid (CID 175420366) is (2-iodophenyl)-(1,3-thiazol-2-yl)carbamic acid.
What is the SMILES notation for (2-iodophenyl)-(1,3-thiazol-2-yl)carbamic acid?
The canonical SMILES for (2-iodophenyl)-(1,3-thiazol-2-yl)carbamic acid is O=C(O)N(c1nccs1)c1ccccc1I.
What is the InChIKey of (2-iodophenyl)-(1,3-thiazol-2-yl)carbamic acid?
The InChIKey is QQSCRUAQZXYGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IN2O2S/c11-7-3-1-2-4-8(7)13(10(14)15)9-12-5-6-16-9/h1-6H,(H,14,15).
What are the key properties of (2-iodophenyl)-(1,3-thiazol-2-yl)carbamic acid?
(2-iodophenyl)-(1,3-thiazol-2-yl)carbamic acid has a molecular weight of 346.15 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-(1,3-thiazol-2-yl)carbamic acid is sourced from PubChem (CID 175420366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).