4-chloro-N,N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine

C8H9ClN6S2 — CID 62867223

IUPAC4-chloro-N,N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCc1nnc(Sc2nc(Cl)nc(N(C)C)n2)s1
InChIInChI=1S/C8H9ClN6S2/c1-4-13-14-8(16-4)17-7-11-5(9)10-6(12-7)15(2)3/h1-3H3
InChIKeyMDFOPMBPZDLEJP-UHFFFAOYSA-N
MW288.79 g/mol
LogP1.90
Rot. Bonds3

About 4-chloro-N,N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine

4-chloro-N,N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (PubChem CID 62867223) has the molecular formula C8H9ClN6S2 and a molecular weight of 288.79 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
PubChem CID62867223
Molecular FormulaC8H9ClN6S2
Molecular Weight288.79 g/mol
Exact Mass288.00
IUPAC Name4-chloro-N,N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCc1nnc(Sc2nc(Cl)nc(N(C)C)n2)s1
InChIInChI=1S/C8H9ClN6S2/c1-4-13-14-8(16-4)17-7-11-5(9)10-6(12-7)15(2)3/h1-3H3
InChIKeyMDFOPMBPZDLEJP-UHFFFAOYSA-N
XLogP1.90
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.79
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-chloro-N,N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-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-chloro-N,N-dimethyl-6-{[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-1,3,5-triazin-2-amine
CID 29135774
4-chloro-N,N-diethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 55125198
2-[(4-Chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62859238
2-[(4-Chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62859365
2-[(4-Chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62867222
2-[(4,6-Dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62870633
4-Chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80885265
4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,3,5-triazin-2-amine
CID 80885447
2-N,2-N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 80885725
4-chloro-N-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80885815
4-chloro-N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80886184
2-N,2-N,4-N-trimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 80886277

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (CID 62867223) is 4-chloro-N,N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is Cc1nnc(Sc2nc(Cl)nc(N(C)C)n2)s1.
What is the InChIKey of 4-chloro-N,N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is MDFOPMBPZDLEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN6S2/c1-4-13-14-8(16-4)17-7-11-5(9)10-6(12-7)15(2)3/h1-3H3.
What are the key properties of 4-chloro-N,N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
4-chloro-N,N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 288.79 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 62867223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).