4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-iodo-1,2-thiazole-3-carboxylic acid

C19H13IN2O4S — CID 166000513

IUPAC4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-iodo-1,2-thiazole-3-carboxylic acid
SMILESO=C(Nc1c(C(=O)O)nsc1I)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H13IN2O4S/c20-17-15(16(18(23)24)22-27-17)21-19(25)26-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2,(H,21,25)(H,23,24)
InChIKeyFMWWDGVHMQIDIO-UHFFFAOYSA-N
MW492.29 g/mol
LogP4.81
Rot. Bonds4

About 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-iodo-1,2-thiazole-3-carboxylic acid

4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-iodo-1,2-thiazole-3-carboxylic acid (PubChem CID 166000513) has the molecular formula C19H13IN2O4S and a molecular weight of 492.29 g/mol. Its IUPAC name is 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-iodo-1,2-thiazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-iodo-1,2-thiazole-3-carboxylic acid
PubChem CID166000513
Molecular FormulaC19H13IN2O4S
Molecular Weight492.29 g/mol
Exact Mass491.96
IUPAC Name4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-iodo-1,2-thiazole-3-carboxylic acid
SMILESO=C(Nc1c(C(=O)O)nsc1I)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H13IN2O4S/c20-17-15(16(18(23)24)22-27-17)21-19(25)26-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2,(H,21,25)(H,23,24)
InChIKeyFMWWDGVHMQIDIO-UHFFFAOYSA-N
XLogP4.81
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.29
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-iodo-1,2-thiazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
CID 63404936
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
4-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-3-carboxylic acid
CID 127018509
9H-fluoren-9-ylmethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate
CID 146022304
9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylic acid
CID 146049104
9H-fluoren-9-ylmethyl N-benzoylcarbamate
CID 10020316
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate
CID 66925363
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-fluorobenzoic acid
CID 46737340

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-iodo-1,2-thiazole-3-carboxylic acid?
The IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-iodo-1,2-thiazole-3-carboxylic acid (CID 166000513) is 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-iodo-1,2-thiazole-3-carboxylic acid.
What is the SMILES notation for 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-iodo-1,2-thiazole-3-carboxylic acid?
The canonical SMILES for 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-iodo-1,2-thiazole-3-carboxylic acid is O=C(Nc1c(C(=O)O)nsc1I)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-iodo-1,2-thiazole-3-carboxylic acid?
The InChIKey is FMWWDGVHMQIDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13IN2O4S/c20-17-15(16(18(23)24)22-27-17)21-19(25)26-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2,(H,21,25)(H,23,24).
What are the key properties of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-iodo-1,2-thiazole-3-carboxylic acid?
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-iodo-1,2-thiazole-3-carboxylic acid has a molecular weight of 492.29 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-iodo-1,2-thiazole-3-carboxylic acid is sourced from PubChem (CID 166000513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).