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

C9H11ClN6OS2 — CID 63738352

IUPAC5-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCOc1nc(Cl)nc(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C9H11ClN6OS2/c1-4-17-6-11-5(10)12-7(13-6)18-9-15-14-8(19-9)16(2)3/h4H2,1-3H3
InChIKeyWLSZCWBDDWGTNM-UHFFFAOYSA-N
MW318.82 g/mol
LogP1.99
Rot. Bonds5

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

5-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63738352) has the molecular formula C9H11ClN6OS2 and a molecular weight of 318.82 g/mol. Its IUPAC name is 5-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63738352
Molecular FormulaC9H11ClN6OS2
Molecular Weight318.82 g/mol
Exact Mass318.01
IUPAC Name5-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCOc1nc(Cl)nc(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C9H11ClN6OS2/c1-4-17-6-11-5(10)12-7(13-6)18-9-15-14-8(19-9)16(2)3/h4H2,1-3H3
InChIKeyWLSZCWBDDWGTNM-UHFFFAOYSA-N
XLogP1.99
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.82
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63738352) is 5-[(4-chloro-6-ethoxy-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-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCOc1nc(Cl)nc(Sc2nnc(N(C)C)s2)n1.
What is the InChIKey of 5-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WLSZCWBDDWGTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN6OS2/c1-4-17-6-11-5(10)12-7(13-6)18-9-15-14-8(19-9)16(2)3/h4H2,1-3H3.
What are the key properties of 5-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 318.82 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63738352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).