2-N,2-N-dimethyl-6-[1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine

C21H28N8S — CID 78860945

IUPAC2-N,2-N-dimethyl-6-[1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H28N8S/c1-15(18-24-20(22)26-21(25-18)27(2)3)29-11-9-28(10-12-29)13-17-14-30-19(23-17)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H2,22,24,25,26)
InChIKeyIMZHXDAJLGIDKJ-UHFFFAOYSA-N
MW424.58 g/mol
LogP2.52
Rot. Bonds6

About 2-N,2-N-dimethyl-6-[1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 78860945) has the molecular formula C21H28N8S and a molecular weight of 424.58 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID78860945
Molecular FormulaC21H28N8S
Molecular Weight424.58 g/mol
Exact Mass424.22
IUPAC Name2-N,2-N-dimethyl-6-[1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H28N8S/c1-15(18-24-20(22)26-21(25-18)27(2)3)29-11-9-28(10-12-29)13-17-14-30-19(23-17)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H2,22,24,25,26)
InChIKeyIMZHXDAJLGIDKJ-UHFFFAOYSA-N
XLogP2.52
TPSA87.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.58
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine (CID 78860945) is 2-N,2-N-dimethyl-6-[1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine is CC(c1nc(N)nc(N(C)C)n1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is IMZHXDAJLGIDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8S/c1-15(18-24-20(22)26-21(25-18)27(2)3)29-11-9-28(10-12-29)13-17-14-30-19(23-17)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H2,22,24,25,26).
What are the key properties of 2-N,2-N-dimethyl-6-[1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 424.58 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 78860945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).