4-N,6-N-diethyl-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4,6-triamine

C10H15N7S — CID 7589456

IUPAC4-N,6-N-diethyl-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC)nc(Nc2nccs2)n1
InChIInChI=1S/C10H15N7S/c1-3-11-7-14-8(12-4-2)16-9(15-7)17-10-13-5-6-18-10/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14,15,16,17)
InChIKeyWDSSXAYVNDLVML-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.94
Rot. Bonds6

About 4-N,6-N-diethyl-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4,6-triamine

4-N,6-N-diethyl-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 7589456) has the molecular formula C10H15N7S and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-N,6-N-diethyl-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-diethyl-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID7589456
Molecular FormulaC10H15N7S
Molecular Weight265.35 g/mol
Exact Mass265.11
IUPAC Name4-N,6-N-diethyl-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC)nc(Nc2nccs2)n1
InChIInChI=1S/C10H15N7S/c1-3-11-7-14-8(12-4-2)16-9(15-7)17-10-13-5-6-18-10/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14,15,16,17)
InChIKeyWDSSXAYVNDLVML-UHFFFAOYSA-N
XLogP1.94
TPSA87.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-diethyl-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-diethyl-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4,6-triamine (CID 7589456) is 4-N,6-N-diethyl-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-diethyl-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-diethyl-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NCC)nc(Nc2nccs2)n1.
What is the InChIKey of 4-N,6-N-diethyl-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WDSSXAYVNDLVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7S/c1-3-11-7-14-8(12-4-2)16-9(15-7)17-10-13-5-6-18-10/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14,15,16,17).
What are the key properties of 4-N,6-N-diethyl-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4,6-triamine?
4-N,6-N-diethyl-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 265.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-diethyl-2-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 7589456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).