6-(3-chlorothiophen-2-yl)-1,3,5-triazine-2,4-diamine

C7H6ClN5S — CID 112681516

IUPAC6-(3-chlorothiophen-2-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2sccc2Cl)n1
InChIInChI=1S/C7H6ClN5S/c8-3-1-2-14-4(3)5-11-6(9)13-7(10)12-5/h1-2H,(H4,9,10,11,12,13)
InChIKeyRZTFETMOUSZUEM-UHFFFAOYSA-N
MW227.68 g/mol
LogP1.42
Rot. Bonds1

About 6-(3-chlorothiophen-2-yl)-1,3,5-triazine-2,4-diamine

6-(3-chlorothiophen-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 112681516) has the molecular formula C7H6ClN5S and a molecular weight of 227.68 g/mol. Its IUPAC name is 6-(3-chlorothiophen-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-chlorothiophen-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID112681516
Molecular FormulaC7H6ClN5S
Molecular Weight227.68 g/mol
Exact Mass227.00
IUPAC Name6-(3-chlorothiophen-2-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2sccc2Cl)n1
InChIInChI=1S/C7H6ClN5S/c8-3-1-2-14-4(3)5-11-6(9)13-7(10)12-5/h1-2H,(H4,9,10,11,12,13)
InChIKeyRZTFETMOUSZUEM-UHFFFAOYSA-N
XLogP1.42
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.68
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(3-chlorothiophen-2-yl)-1,3,5-triazine-2,4-diamine 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-(3-chlorothiophen-2-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107361013
4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine
CID 131008069
4,6-dichloro-2-(3-chlorothiophen-2-yl)quinazoline
CID 80645436
2-(3-chlorothiophen-2-yl)-5-methylquinazolin-4-amine
CID 80641425
2-(3-chlorothiophen-2-yl)-6-methoxyquinazolin-4-amine
CID 80641658
6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine
CID 80642166
3-(3-chlorothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine
CID 80645378
5-(3-chlorothiophen-2-yl)-1,3-thiazol-2-amine
CID 107360465
3-chloro-5-(3-chlorothiophen-2-yl)-1,2,4-thiadiazole
CID 102944112
6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine
CID 80648476
4-chloro-2-(3-chlorothiophen-2-yl)pyridine
CID 107360947
6-(2-amino-1,3-thiazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 130568125

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorothiophen-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-chlorothiophen-2-yl)-1,3,5-triazine-2,4-diamine (CID 112681516) is 6-(3-chlorothiophen-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-chlorothiophen-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-chlorothiophen-2-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2sccc2Cl)n1.
What is the InChIKey of 6-(3-chlorothiophen-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RZTFETMOUSZUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5S/c8-3-1-2-14-4(3)5-11-6(9)13-7(10)12-5/h1-2H,(H4,9,10,11,12,13).
What are the key properties of 6-(3-chlorothiophen-2-yl)-1,3,5-triazine-2,4-diamine?
6-(3-chlorothiophen-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 227.68 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorothiophen-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112681516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).