2-N,2-N-dimethyl-6-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine

C15H18N8S2 — CID 17496145

IUPAC2-N,2-N-dimethyl-6-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nnc(SCc2nc(N)nc(N(C)C)n2)s1
InChIInChI=1S/C15H18N8S2/c1-9-6-4-5-7-10(9)17-14-21-22-15(25-14)24-8-11-18-12(16)20-13(19-11)23(2)3/h4-7H,8H2,1-3H3,(H,17,21)(H2,16,18,19,20)
InChIKeyYCXGVLSYJJQRAM-UHFFFAOYSA-N
MW374.50 g/mol
LogP2.72
Rot. Bonds6

About 2-N,2-N-dimethyl-6-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 17496145) has the molecular formula C15H18N8S2 and a molecular weight of 374.50 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID17496145
Molecular FormulaC15H18N8S2
Molecular Weight374.50 g/mol
Exact Mass374.11
IUPAC Name2-N,2-N-dimethyl-6-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nnc(SCc2nc(N)nc(N(C)C)n2)s1
InChIInChI=1S/C15H18N8S2/c1-9-6-4-5-7-10(9)17-14-21-22-15(25-14)24-8-11-18-12(16)20-13(19-11)23(2)3/h4-7H,8H2,1-3H3,(H,17,21)(H2,16,18,19,20)
InChIKeyYCXGVLSYJJQRAM-UHFFFAOYSA-N
XLogP2.72
TPSA105.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-N,2-N-dimethyl-6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 41479835
2-N,2-N-dimethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 46670988
5-[(4-chlorophenyl)methylsulfanyl]-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 7754026
6-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 9477587
2-N-(2-methylphenyl)-6-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 41083750
N-(2-methylphenyl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2096425
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 34801710
5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-N-(3-chloro-2-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 27936052
3,3-dimethyl-1-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one
CID 2340804
methyl 3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate
CID 18122310
(2R)-1-(diethylamino)-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
CID 41299397
(2S)-1-(diethylamino)-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
CID 41299395

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 17496145) is 2-N,2-N-dimethyl-6-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine is Cc1ccccc1Nc1nnc(SCc2nc(N)nc(N(C)C)n2)s1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is YCXGVLSYJJQRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8S2/c1-9-6-4-5-7-10(9)17-14-21-22-15(25-14)24-8-11-18-12(16)20-13(19-11)23(2)3/h4-7H,8H2,1-3H3,(H,17,21)(H2,16,18,19,20).
What are the key properties of 2-N,2-N-dimethyl-6-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 374.50 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17496145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).