4-chloro-N,N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine

C10H12ClN5S2 — CID 62866701

IUPAC4-chloro-N,N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Sc2nccs2)n1
InChIInChI=1S/C10H12ClN5S2/c1-3-16(4-2)8-13-7(11)14-9(15-8)18-10-12-5-6-17-10/h5-6H,3-4H2,1-2H3
InChIKeyPRFOXRCWHZCZAH-UHFFFAOYSA-N
MW301.83 g/mol
LogP2.98
Rot. Bonds5

About 4-chloro-N,N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine

4-chloro-N,N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 62866701) has the molecular formula C10H12ClN5S2 and a molecular weight of 301.83 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID62866701
Molecular FormulaC10H12ClN5S2
Molecular Weight301.83 g/mol
Exact Mass301.02
IUPAC Name4-chloro-N,N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Sc2nccs2)n1
InChIInChI=1S/C10H12ClN5S2/c1-3-16(4-2)8-13-7(11)14-9(15-8)18-10-12-5-6-17-10/h5-6H,3-4H2,1-2H3
InChIKeyPRFOXRCWHZCZAH-UHFFFAOYSA-N
XLogP2.98
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.83
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine (CID 62866701) is 4-chloro-N,N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(Sc2nccs2)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is PRFOXRCWHZCZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5S2/c1-3-16(4-2)8-13-7(11)14-9(15-8)18-10-12-5-6-17-10/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-chloro-N,N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 301.83 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62866701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).