4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,5-thiadiazol-3-amine

C7H10ClN3O2S2 — CID 62131982

IUPAC4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,5-thiadiazol-3-amine
SMILESO=S1(=O)CCC(CNc2nsnc2Cl)C1
InChIInChI=1S/C7H10ClN3O2S2/c8-6-7(11-14-10-6)9-3-5-1-2-15(12,13)4-5/h5H,1-4H2,(H,9,11)
InChIKeyVWDBSCVGNXDVIF-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.04
Rot. Bonds3

About 4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,5-thiadiazol-3-amine

4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,5-thiadiazol-3-amine (PubChem CID 62131982) has the molecular formula C7H10ClN3O2S2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,5-thiadiazol-3-amine
PubChem CID62131982
Molecular FormulaC7H10ClN3O2S2
Molecular Weight267.76 g/mol
Exact Mass266.99
IUPAC Name4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,5-thiadiazol-3-amine
SMILESO=S1(=O)CCC(CNc2nsnc2Cl)C1
InChIInChI=1S/C7H10ClN3O2S2/c8-6-7(11-14-10-6)9-3-5-1-2-15(12,13)4-5/h5H,1-4H2,(H,9,11)
InChIKeyVWDBSCVGNXDVIF-UHFFFAOYSA-N
XLogP1.04
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,5-thiadiazol-3-amine 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

6-chloro-2-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-2,3-diamine
CID 113316900
2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321434
4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80822882
5-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-3-carboxamide
CID 47292812
4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80822810
4-N-[(1,1-dioxothiolan-3-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80822733
3-[(1,1-dioxothiolan-3-yl)methylamino]-1H-pyrazin-2-one
CID 115650209
2,6-dichloro-1-N-[(1,1-dioxothiolan-3-yl)methyl]benzene-1,4-diamine
CID 106890288
N-[(1,1-dioxothiolan-3-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine
CID 79904407
4-N-[(1,1-dioxothiolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 80822562
N-[(1,1-dioxothiolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62833160
4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,3,5-triazin-2-amine
CID 62858145

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,5-thiadiazol-3-amine (CID 62131982) is 4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,5-thiadiazol-3-amine is O=S1(=O)CCC(CNc2nsnc2Cl)C1.
What is the InChIKey of 4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,5-thiadiazol-3-amine?
The InChIKey is VWDBSCVGNXDVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2S2/c8-6-7(11-14-10-6)9-3-5-1-2-15(12,13)4-5/h5H,1-4H2,(H,9,11).
What are the key properties of 4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,5-thiadiazol-3-amine?
4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,5-thiadiazol-3-amine has a molecular weight of 267.76 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 62131982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).