2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine

C11H17N7S — CID 80839437

IUPAC2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCc1ncsc1CN(C)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C11H17N7S/c1-7-8(19-6-13-7)5-18(4)11-15-9(12)14-10(16-11)17(2)3/h6H,5H2,1-4H3,(H2,12,14,15,16)
InChIKeyOEOIYGGLMVQKSY-UHFFFAOYSA-N
MW279.37 g/mol
LogP0.92
Rot. Bonds4

About 2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine

2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 80839437) has the molecular formula C11H17N7S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID80839437
Molecular FormulaC11H17N7S
Molecular Weight279.37 g/mol
Exact Mass279.13
IUPAC Name2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCc1ncsc1CN(C)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C11H17N7S/c1-7-8(19-6-13-7)5-18(4)11-15-9(12)14-10(16-11)17(2)3/h6H,5H2,1-4H3,(H2,12,14,15,16)
InChIKeyOEOIYGGLMVQKSY-UHFFFAOYSA-N
XLogP0.92
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

6-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 78952189
4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
CID 107542037
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine
CID 63842762
2-N,4-N,4-N-trimethyl-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80764929
2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80805230
6-chloro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,4-diamine
CID 104924252
2-cyclopropyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80959527
4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 63838044
N,4-dimethyl-5-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
CID 83186171
4,5-difluoro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,2-diamine
CID 112751823
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 104540410
2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazole-2,4-diamine
CID 79892726

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine (CID 80839437) is 2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine is Cc1ncsc1CN(C)c1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is OEOIYGGLMVQKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7S/c1-7-8(19-6-13-7)5-18(4)11-15-9(12)14-10(16-11)17(2)3/h6H,5H2,1-4H3,(H2,12,14,15,16).
What are the key properties of 2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 279.37 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80839437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).