2-N-tert-butyl-4-N,6-N-bis[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine

C17H24N8S2 — CID 167857097

IUPAC2-N-tert-butyl-4-N,6-N-bis[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)(C)Nc1nc(NCCc2cscn2)nc(NCCc2cscn2)n1
InChIInChI=1S/C17H24N8S2/c1-17(2,3)25-16-23-14(18-6-4-12-8-26-10-20-12)22-15(24-16)19-7-5-13-9-27-11-21-13/h8-11H,4-7H2,1-3H3,(H3,18,19,22,23,24,25)
InChIKeyRMPZXAHNOQNHHG-UHFFFAOYSA-N
MW404.57 g/mol
LogP3.30
Rot. Bonds9

About 2-N-tert-butyl-4-N,6-N-bis[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine

2-N-tert-butyl-4-N,6-N-bis[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 167857097) has the molecular formula C17H24N8S2 and a molecular weight of 404.57 g/mol. Its IUPAC name is 2-N-tert-butyl-4-N,6-N-bis[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-tert-butyl-4-N,6-N-bis[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID167857097
Molecular FormulaC17H24N8S2
Molecular Weight404.57 g/mol
Exact Mass404.16
IUPAC Name2-N-tert-butyl-4-N,6-N-bis[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)(C)Nc1nc(NCCc2cscn2)nc(NCCc2cscn2)n1
InChIInChI=1S/C17H24N8S2/c1-17(2,3)25-16-23-14(18-6-4-12-8-26-10-20-12)22-15(24-16)19-7-5-13-9-27-11-21-13/h8-11H,4-7H2,1-3H3,(H3,18,19,22,23,24,25)
InChIKeyRMPZXAHNOQNHHG-UHFFFAOYSA-N
XLogP3.30
TPSA100.54 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.57
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-N-tert-butyl-4-N,6-N-bis[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

4-N-ethyl-6-propan-2-yloxy-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80820066
4-ethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
CID 112637712
2-N-[2-(1,3-thiazol-4-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80846480
2-N-ethyl-6-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718549
5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 107874695
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 63830272
6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80846392
6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine
CID 80647285
4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 114281261
3,6-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-5-amine
CID 81035750
3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 65266866
N-[2-(1,3-thiazol-4-yl)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46996147

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-4-N,6-N-bis[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-tert-butyl-4-N,6-N-bis[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (CID 167857097) is 2-N-tert-butyl-4-N,6-N-bis[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-tert-butyl-4-N,6-N-bis[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-tert-butyl-4-N,6-N-bis[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is CC(C)(C)Nc1nc(NCCc2cscn2)nc(NCCc2cscn2)n1.
What is the InChIKey of 2-N-tert-butyl-4-N,6-N-bis[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RMPZXAHNOQNHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8S2/c1-17(2,3)25-16-23-14(18-6-4-12-8-26-10-20-12)22-15(24-16)19-7-5-13-9-27-11-21-13/h8-11H,4-7H2,1-3H3,(H3,18,19,22,23,24,25).
What are the key properties of 2-N-tert-butyl-4-N,6-N-bis[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?
2-N-tert-butyl-4-N,6-N-bis[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 404.57 g/mol, XLogP of 3.30, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-4-N,6-N-bis[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 167857097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).