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

C14H22N6S — CID 79826586

IUPAC6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cc2nc(C(C)(C)C)cs2)nc(N(C)C)n1
InChIInChI=1S/C14H22N6S/c1-14(2,3)9-8-21-11(16-9)7-10-17-12(15-4)19-13(18-10)20(5)6/h8H,7H2,1-6H3,(H,15,17,18,19)
InChIKeyXUZFOTSKUWDGFK-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.32
Rot. Bonds4

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

6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 79826586) has the molecular formula C14H22N6S and a molecular weight of 306.44 g/mol. Its IUPAC name is 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
PubChem CID79826586
Molecular FormulaC14H22N6S
Molecular Weight306.44 g/mol
Exact Mass306.16
IUPAC Name6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cc2nc(C(C)(C)C)cs2)nc(N(C)C)n1
InChIInChI=1S/C14H22N6S/c1-14(2,3)9-8-21-11(16-9)7-10-17-12(15-4)19-13(18-10)20(5)6/h8H,7H2,1-6H3,(H,15,17,18,19)
InChIKeyXUZFOTSKUWDGFK-UHFFFAOYSA-N
XLogP2.32
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (CID 79826586) is 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is CNc1nc(Cc2nc(C(C)(C)C)cs2)nc(N(C)C)n1.
What is the InChIKey of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XUZFOTSKUWDGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6S/c1-14(2,3)9-8-21-11(16-9)7-10-17-12(15-4)19-13(18-10)20(5)6/h8H,7H2,1-6H3,(H,15,17,18,19).
What are the key properties of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 306.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 79826586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).