(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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Related Compounds

1-[2-(benzenesulfonyl)phenyl]-1-(1,3-thiazol-2-yl)urea
CID 118362143
phenyl N-methyl-N-(1,3-thiazol-2-yl)carbamate
CID 110723371
2-methoxy-N-phenyl-N-(1,3-thiazol-2-yl)benzamide
CID 68547683
N-benzyl-N-(1,3-thiazol-2-yl)formamide
CID 88636518
2-bromo-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 47182345
2-(4-methylphenoxy)-N-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide
CID 146661408
3-chloro-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 110723358
2,6-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 110723339
2-methyl-3-[1-phenylethyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 82309949
N-benzyl-N-methylsulfanyl-1,3-thiazol-2-amine
CID 175177928
1-[5-chloro-2-(2-chlorophenoxy)phenyl]-1-(1,3-thiazol-2-yl)urea
CID 174475178
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 27805787

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).