N,N-dimethyl-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

C11H16N6S2 — CID 80653863

IUPACN,N-dimethyl-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1cc(C)nc(CSc2nnc(N(C)C)s2)n1
InChIInChI=1S/C11H16N6S2/c1-7-5-8(12-2)14-9(13-7)6-18-11-16-15-10(19-11)17(3)4/h5H,6H2,1-4H3,(H,12,13,14)
InChIKeyIDSSQRKSZMEKOZ-UHFFFAOYSA-N
MW296.43 g/mol
LogP2.04
Rot. Bonds5

About N,N-dimethyl-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

N,N-dimethyl-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80653863) has the molecular formula C11H16N6S2 and a molecular weight of 296.43 g/mol. Its IUPAC name is N,N-dimethyl-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID80653863
Molecular FormulaC11H16N6S2
Molecular Weight296.43 g/mol
Exact Mass296.09
IUPAC NameN,N-dimethyl-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1cc(C)nc(CSc2nnc(N(C)C)s2)n1
InChIInChI=1S/C11H16N6S2/c1-7-5-8(12-2)14-9(13-7)6-18-11-16-15-10(19-11)17(3)4/h5H,6H2,1-4H3,(H,12,13,14)
InChIKeyIDSSQRKSZMEKOZ-UHFFFAOYSA-N
XLogP2.04
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

N,6-dimethyl-2-(1,2,4-thiadiazol-5-ylsulfanylmethyl)pyrimidin-4-amine
CID 80655256
6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine
CID 115383635
N,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyrimidin-4-amine
CID 80654482
2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
CID 66065128
2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
CID 66153137
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
5-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931417
5-[[2-methoxy-5-(methylaminomethyl)phenyl]methylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 64611286
N,N-dimethyl-5-[6-methyl-2-(propylamino)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 80883438
5-[[4-(aminomethyl)-6-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114769899
N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 80655030
N,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine
CID 80657292

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 80653863) is N,N-dimethyl-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is CNc1cc(C)nc(CSc2nnc(N(C)C)s2)n1.
What is the InChIKey of N,N-dimethyl-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is IDSSQRKSZMEKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S2/c1-7-5-8(12-2)14-9(13-7)6-18-11-16-15-10(19-11)17(3)4/h5H,6H2,1-4H3,(H,12,13,14).
What are the key properties of N,N-dimethyl-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 296.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80653863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).