2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine

C12H15F2N7S — CID 175495132

IUPAC2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1nsc(-c2nc(N)nc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C12H15F2N7S/c1-6-16-9(22-21-6)8-18-10(15)20-11(19-8)17-7-2-4-12(13,14)5-3-7/h7H,2-5H2,1H3,(H3,15,17,18,19,20)
InChIKeyYUKGOFGSIXQZMC-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.27
Rot. Bonds3

About 2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine

2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 175495132) has the molecular formula C12H15F2N7S and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine
PubChem CID175495132
Molecular FormulaC12H15F2N7S
Molecular Weight327.36 g/mol
Exact Mass327.11
IUPAC Name2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1nsc(-c2nc(N)nc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C12H15F2N7S/c1-6-16-9(22-21-6)8-18-10(15)20-11(19-8)17-7-2-4-12(13,14)5-3-7/h7H,2-5H2,1H3,(H3,15,17,18,19,20)
InChIKeyYUKGOFGSIXQZMC-UHFFFAOYSA-N
XLogP2.27
TPSA102.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 117817331
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97594400
2-N,2-N-bis(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 117799118
2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine;methane
CID 159103460
2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine;cyclobutane;ethane
CID 161144369
3-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine
CID 107304476
2-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]butan-1-amine
CID 107304491
2-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine
CID 107304492
5-(3-Methylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107304580
5-(2,5-Dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107304584
N-[3-(2-methylpiperidin-1-yl)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304672
N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304708

Frequently Asked Questions

What is the IUPAC name of 2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine (CID 175495132) is 2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine is Cc1nsc(-c2nc(N)nc(NC3CCC(F)(F)CC3)n2)n1.
What is the InChIKey of 2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YUKGOFGSIXQZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N7S/c1-6-16-9(22-21-6)8-18-10(15)20-11(19-8)17-7-2-4-12(13,14)5-3-7/h7H,2-5H2,1H3,(H3,15,17,18,19,20).
What are the key properties of 2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine?
2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 327.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175495132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).