N-ethyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine

C12H17N5S2 — CID 80613759

IUPACN-ethyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CSc2nc(C)c(C)c(C)n2)s1
InChIInChI=1S/C12H17N5S2/c1-5-13-11-17-16-10(19-11)6-18-12-14-8(3)7(2)9(4)15-12/h5-6H2,1-4H3,(H,13,17)
InChIKeyCJYOPICREYSSMX-UHFFFAOYSA-N
MW295.44 g/mol
LogP2.98
Rot. Bonds5

About N-ethyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine

N-ethyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80613759) has the molecular formula C12H17N5S2 and a molecular weight of 295.44 g/mol. Its IUPAC name is N-ethyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
PubChem CID80613759
Molecular FormulaC12H17N5S2
Molecular Weight295.44 g/mol
Exact Mass295.09
IUPAC NameN-ethyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CSc2nc(C)c(C)c(C)n2)s1
InChIInChI=1S/C12H17N5S2/c1-5-13-11-17-16-10(19-11)6-18-12-14-8(3)7(2)9(4)15-12/h5-6H2,1-4H3,(H,13,17)
InChIKeyCJYOPICREYSSMX-UHFFFAOYSA-N
XLogP2.98
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
CID 80613450
N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
CID 80613736
N-ethyl-5-(1H-indol-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
CID 80614373
5-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80613353
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]pyrimidine-4,6-diamine
CID 80613552
5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80614368
N-ethyl-5-(oxetan-3-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
CID 80613563
4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]naphthalen-1-ol
CID 115945393
5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80614568
N-[(4-fluorophenyl)methyl]-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide
CID 30861785
N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 65043117
4,5,6-trimethyl-2-propylsulfanylpyrimidine
CID 90393527

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine (CID 80613759) is N-ethyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(CSc2nc(C)c(C)c(C)n2)s1.
What is the InChIKey of N-ethyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CJYOPICREYSSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S2/c1-5-13-11-17-16-10(19-11)6-18-12-14-8(3)7(2)9(4)15-12/h5-6H2,1-4H3,(H,13,17).
What are the key properties of N-ethyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 295.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80613759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).