4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine

C8H8ClN3S2 — CID 107361114

IUPAC4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine
SMILESCCNc1nsnc1-c1sccc1Cl
InChIInChI=1S/C8H8ClN3S2/c1-2-10-8-6(11-14-12-8)7-5(9)3-4-13-7/h3-4H,2H2,1H3,(H,10,12)
InChIKeyKFAYURGKBMQZAP-UHFFFAOYSA-N
MW245.76 g/mol
LogP3.35
Rot. Bonds3

About 4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine

4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine (PubChem CID 107361114) has the molecular formula C8H8ClN3S2 and a molecular weight of 245.76 g/mol. Its IUPAC name is 4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine
PubChem CID107361114
Molecular FormulaC8H8ClN3S2
Molecular Weight245.76 g/mol
Exact Mass244.98
IUPAC Name4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine
SMILESCCNc1nsnc1-c1sccc1Cl
InChIInChI=1S/C8H8ClN3S2/c1-2-10-8-6(11-14-12-8)7-5(9)3-4-13-7/h3-4H,2H2,1H3,(H,10,12)
InChIKeyKFAYURGKBMQZAP-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.76
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-chlorothiophen-2-yl)-N-ethyl-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

4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine
CID 107360998
4-(3-chlorothiophen-2-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 107361086
3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine
CID 107361146
6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine
CID 80648476
6-(3-chlorothiophen-2-yl)-N-ethyl-2-methylpyrimidin-4-amine
CID 107361117
6-(3-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
CID 107361052
4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 102838564
6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine
CID 107361110
6-(3-chlorothiophen-2-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 107361032
N-ethyl-4-(2-methylquinolin-6-yl)-1,2,5-thiadiazol-3-amine
CID 81222280
4-(3-chlorothiophen-2-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 166357506
N-[[5-(3-chlorothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 80642061

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine (CID 107361114) is 4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine is CCNc1nsnc1-c1sccc1Cl.
What is the InChIKey of 4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine?
The InChIKey is KFAYURGKBMQZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3S2/c1-2-10-8-6(11-14-12-8)7-5(9)3-4-13-7/h3-4H,2H2,1H3,(H,10,12).
What are the key properties of 4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine?
4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine has a molecular weight of 245.76 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 107361114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).