CID 58020073

C8H11N2O2SSn — CID 58020073

IUPAC—
SMILESCC(C)(C)OC(=O)Nc1ncc([Sn])s1
InChIInChI=1S/C8H11N2O2S.Sn/c1-8(2,3)12-7(11)10-6-9-4-5-13-6;/h4H,1-3H3,(H,9,10,11);
InChIKeyCBEBUSJFZAIPPA-UHFFFAOYSA-N
MW317.97 g/mol
LogP1.28
Rot. Bonds1

About CID 58020073

CID 58020073 (PubChem CID 58020073) has the molecular formula C8H11N2O2SSn and a molecular weight of 317.97 g/mol.

Molecular Properties

Compound NameCID 58020073
PubChem CID58020073
Molecular FormulaC8H11N2O2SSn
Molecular Weight317.97 g/mol
Exact Mass318.96
IUPAC Name—
SMILESCC(C)(C)OC(=O)Nc1ncc([Sn])s1
InChIInChI=1S/C8H11N2O2S.Sn/c1-8(2,3)12-7(11)10-6-9-4-5-13-6;/h4H,1-3H3,(H,9,10,11);
InChIKeyCBEBUSJFZAIPPA-UHFFFAOYSA-N
XLogP1.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.97
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze CID 58020073 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

Tert-butyl 2-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]acetate
CID 5329661
Butyl 1,3-thiazol-2-ylcarbamate
CID 1562703
2-Thiazolecarbamic acid, ethyl ester
CID 77241
tert-butyl N-(5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl)carbamate
CID 72210849
tert-butyl N-(5-bromo-1,3-thiazol-2-yl)carbamate
CID 21300388
Ethyl (2-acetamido-1,3-thiazol-5-yl)sulfanylformate
CID 155563443
tert-butyl N-(5-(tributylstannyl)-1,3-thiazol-2-yl)carbamate
CID 2763269
tert-butyl N-(1,3-thiazol-2-yl)carbamate
CID 11858898
tert-butyl N-[5-(aminomethyl)-1,3-thiazol-2-yl]carbamate
CID 11601064
Tert-butyl (5-ethynylthiazol-2-yl)carbamate
CID 57737416
tert-butyl N-(5-iodo-1,3-thiazol-2-yl)carbamate
CID 119056951
ethyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate
CID 90671204

Frequently Asked Questions

What is the IUPAC name of CID 58020073?
The IUPAC name of CID 58020073 (CID 58020073) is not available.
What is the SMILES notation for CID 58020073?
The canonical SMILES for CID 58020073 is CC(C)(C)OC(=O)Nc1ncc([Sn])s1.
What is the InChIKey of CID 58020073?
The InChIKey is CBEBUSJFZAIPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N2O2S.Sn/c1-8(2,3)12-7(11)10-6-9-4-5-13-6;/h4H,1-3H3,(H,9,10,11);.
What are the key properties of CID 58020073?
CID 58020073 has a molecular weight of 317.97 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58020073 is sourced from PubChem (CID 58020073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).