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

C10H13ClN6S2 — CID 55125198

IUPAC4-chloro-N,N-diethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C10H13ClN6S2/c1-4-17(5-2)8-12-7(11)13-9(14-8)19-10-16-15-6(3)18-10/h4-5H2,1-3H3
InChIKeyWNKPPEOEIINREE-UHFFFAOYSA-N
MW316.84 g/mol
LogP2.68
Rot. Bonds5

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

4-chloro-N,N-diethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (PubChem CID 55125198) has the molecular formula C10H13ClN6S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
PubChem CID55125198
Molecular FormulaC10H13ClN6S2
Molecular Weight316.84 g/mol
Exact Mass316.03
IUPAC Name4-chloro-N,N-diethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Sc2nnc(C)s2)n1
InChIInChI=1S/C10H13ClN6S2/c1-4-17(5-2)8-12-7(11)13-9(14-8)19-10-16-15-6(3)18-10/h4-5H2,1-3H3
InChIKeyWNKPPEOEIINREE-UHFFFAOYSA-N
XLogP2.68
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-diethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (CID 55125198) is 4-chloro-N,N-diethyl-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-diethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(Sc2nnc(C)s2)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is WNKPPEOEIINREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6S2/c1-4-17(5-2)8-12-7(11)13-9(14-8)19-10-16-15-6(3)18-10/h4-5H2,1-3H3.
What are the key properties of 4-chloro-N,N-diethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 316.84 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 55125198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).