CID 87724676

C20H13AsFN5O2S — CID 87724676

IUPAC—
SMILESO=C(Nc1ccc(NC(=O)c2csc3ncnc([As])c23)cc1)Nc1ccccc1F
InChIInChI=1S/C20H13AsFN5O2S/c21-17-16-13(9-30-19(16)24-10-23-17)18(28)25-11-5-7-12(8-6-11)26-20(29)27-15-4-2-1-3-14(15)22/h1-10H,(H,25,28)(H2,26,27,29)
InChIKeyMQEFCAWGFFEGMB-UHFFFAOYSA-N
MW481.34 g/mol
LogP3.52
Rot. Bonds4

About CID 87724676

CID 87724676 (PubChem CID 87724676) has the molecular formula C20H13AsFN5O2S and a molecular weight of 481.34 g/mol.

Molecular Properties

Compound NameCID 87724676
PubChem CID87724676
Molecular FormulaC20H13AsFN5O2S
Molecular Weight481.34 g/mol
Exact Mass481.00
IUPAC Name—
SMILESO=C(Nc1ccc(NC(=O)c2csc3ncnc([As])c23)cc1)Nc1ccccc1F
InChIInChI=1S/C20H13AsFN5O2S/c21-17-16-13(9-30-19(16)24-10-23-17)18(28)25-11-5-7-12(8-6-11)26-20(29)27-15-4-2-1-3-14(15)22/h1-10H,(H,25,28)(H2,26,27,29)
InChIKeyMQEFCAWGFFEGMB-UHFFFAOYSA-N
XLogP3.52
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.34
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[4-[(2,4-difluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 69160394
4-amino-N-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 69159899
4-amino-N-[3-[(3-fluorophenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-5-carboxamide
CID 69454538
1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea
CID 18451197
1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea
CID 901016
1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430028
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-(2-fluorophenyl)urea
CID 11406634
4-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63651767
4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180579
1-(4-cyclohexylphenyl)-3-(2-fluorophenyl)urea
CID 143736831
1-(2-fluorophenyl)-3-(5-iodo-2-pyridinyl)urea
CID 65098951
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594

Frequently Asked Questions

What is the IUPAC name of CID 87724676?
The IUPAC name of CID 87724676 (CID 87724676) is not available.
What is the SMILES notation for CID 87724676?
The canonical SMILES for CID 87724676 is O=C(Nc1ccc(NC(=O)c2csc3ncnc([As])c23)cc1)Nc1ccccc1F.
What is the InChIKey of CID 87724676?
The InChIKey is MQEFCAWGFFEGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13AsFN5O2S/c21-17-16-13(9-30-19(16)24-10-23-17)18(28)25-11-5-7-12(8-6-11)26-20(29)27-15-4-2-1-3-14(15)22/h1-10H,(H,25,28)(H2,26,27,29).
What are the key properties of CID 87724676?
CID 87724676 has a molecular weight of 481.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87724676 is sourced from PubChem (CID 87724676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).