5-[(2-chloro-7H-purin-6-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C9H8ClN7S2 — CID 104787555

IUPAC5-[(2-chloro-7H-purin-6-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2nc(Cl)nc3nc[nH]c23)s1
InChIInChI=1S/C9H8ClN7S2/c1-17(2)8-15-16-9(19-8)18-6-4-5(12-3-11-4)13-7(10)14-6/h3H,1-2H3,(H,11,12,13,14)
InChIKeyHAFUXOJHARUGOH-UHFFFAOYSA-N
MW313.80 g/mol
LogP2.08
Rot. Bonds3

About 5-[(2-chloro-7H-purin-6-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[(2-chloro-7H-purin-6-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 104787555) has the molecular formula C9H8ClN7S2 and a molecular weight of 313.80 g/mol. Its IUPAC name is 5-[(2-chloro-7H-purin-6-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-chloro-7H-purin-6-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID104787555
Molecular FormulaC9H8ClN7S2
Molecular Weight313.80 g/mol
Exact Mass313.00
IUPAC Name5-[(2-chloro-7H-purin-6-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2nc(Cl)nc3nc[nH]c23)s1
InChIInChI=1S/C9H8ClN7S2/c1-17(2)8-15-16-9(19-8)18-6-4-5(12-3-11-4)13-7(10)14-6/h3H,1-2H3,(H,11,12,13,14)
InChIKeyHAFUXOJHARUGOH-UHFFFAOYSA-N
XLogP2.08
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(2-chloro-7H-purin-6-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-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

2-[(2-chloro-7H-purin-6-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 104787570
2-[(2-chloro-7H-purin-6-yl)sulfanyl]-4-methyl-1,3-thiazole
CID 104787517
2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-7H-purine
CID 104787572
3-[(2-chloro-7H-purin-6-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 113453147
5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114563049
2-chloro-6-pentylsulfanyl-7H-purine
CID 107751100
2-chloro-6-(3-methylbutylsulfanyl)-7H-purine
CID 107751341
2,6-dichloro-7H-purine
CID 10750289
5-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63739069
5-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737477
5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid
CID 81440111
5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 102761208

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-7H-purin-6-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2-chloro-7H-purin-6-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 104787555) is 5-[(2-chloro-7H-purin-6-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2-chloro-7H-purin-6-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2-chloro-7H-purin-6-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(Sc2nc(Cl)nc3nc[nH]c23)s1.
What is the InChIKey of 5-[(2-chloro-7H-purin-6-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HAFUXOJHARUGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN7S2/c1-17(2)8-15-16-9(19-8)18-6-4-5(12-3-11-4)13-7(10)14-6/h3H,1-2H3,(H,11,12,13,14).
What are the key properties of 5-[(2-chloro-7H-purin-6-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[(2-chloro-7H-purin-6-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 313.80 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-7H-purin-6-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 104787555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).