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

C10H13ClN6S — CID 114129238

IUPAC6-chloro-2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCc1cnc(CNc2nc(Cl)nc(NC)n2)s1
InChIInChI=1S/C10H13ClN6S/c1-3-6-4-13-7(18-6)5-14-10-16-8(11)15-9(12-2)17-10/h4H,3,5H2,1-2H3,(H2,12,14,15,16,17)
InChIKeyQIJMMWNYHPMLCW-UHFFFAOYSA-N
MW284.78 g/mol
LogP2.20
Rot. Bonds5

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

6-chloro-2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 114129238) has the molecular formula C10H13ClN6S and a molecular weight of 284.78 g/mol. Its IUPAC name is 6-chloro-2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID114129238
Molecular FormulaC10H13ClN6S
Molecular Weight284.78 g/mol
Exact Mass284.06
IUPAC Name6-chloro-2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCc1cnc(CNc2nc(Cl)nc(NC)n2)s1
InChIInChI=1S/C10H13ClN6S/c1-3-6-4-13-7(18-6)5-14-10-16-8(11)15-9(12-2)17-10/h4H,3,5H2,1-2H3,(H2,12,14,15,16,17)
InChIKeyQIJMMWNYHPMLCW-UHFFFAOYSA-N
XLogP2.20
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 114129233
6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114181096
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)methanamine
CID 104879256
5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 102975903
4-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 114129232
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
CID 113244193
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 103853555
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 107095635
3-tert-butyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 104952782
1-(4-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103701879

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 114129238) is 6-chloro-2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine is CCc1cnc(CNc2nc(Cl)nc(NC)n2)s1.
What is the InChIKey of 6-chloro-2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QIJMMWNYHPMLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6S/c1-3-6-4-13-7(18-6)5-14-10-16-8(11)15-9(12-2)17-10/h4H,3,5H2,1-2H3,(H2,12,14,15,16,17).
What are the key properties of 6-chloro-2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 284.78 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 114129238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).