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

C11H16ClN7S2 — CID 63737477

IUPAC5-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C11H16ClN7S2/c1-5-19(6-2)8-13-7(12)14-9(15-8)20-11-17-16-10(21-11)18(3)4/h5-6H2,1-4H3
InChIKeySXOVBNDLRKCIMY-UHFFFAOYSA-N
MW345.89 g/mol
LogP2.44
Rot. Bonds6

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

5-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63737477) has the molecular formula C11H16ClN7S2 and a molecular weight of 345.89 g/mol. Its IUPAC name is 5-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63737477
Molecular FormulaC11H16ClN7S2
Molecular Weight345.89 g/mol
Exact Mass345.06
IUPAC Name5-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C11H16ClN7S2/c1-5-19(6-2)8-13-7(12)14-9(15-8)20-11-17-16-10(21-11)18(3)4/h5-6H2,1-4H3
InChIKeySXOVBNDLRKCIMY-UHFFFAOYSA-N
XLogP2.44
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.89
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

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
4-chloro-N,N-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 62867560
4-chloro-6-(2-chlorophenyl)sulfanyl-N,N-diethyl-1,3,5-triazin-2-amine
CID 63402083
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
2-N,2-N,4-N-triethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 80873629
2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62870633
5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114563049
5-[(2-chloro-7H-purin-6-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 104787555
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62859238
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-methylpyrimidine-4-carboxylic acid
CID 107555246
5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 102761208
5-[2-[1-(ethylamino)ethyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736606

Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63737477) is 5-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCN(CC)c1nc(Cl)nc(Sc2nnc(N(C)C)s2)n1.
What is the InChIKey of 5-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SXOVBNDLRKCIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN7S2/c1-5-19(6-2)8-13-7(12)14-9(15-8)20-11-17-16-10(21-11)18(3)4/h5-6H2,1-4H3.
What are the key properties of 5-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 345.89 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63737477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).