N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine

C9H11N5S2 — CID 80886182

IUPACN-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCCNc1nccc(Sc2nnc(C)s2)n1
InChIInChI=1S/C9H11N5S2/c1-3-10-8-11-5-4-7(12-8)16-9-14-13-6(2)15-9/h4-5H,3H2,1-2H3,(H,10,11,12)
InChIKeyZOZBBMWWVKZURI-UHFFFAOYSA-N
MW253.36 g/mol
LogP2.22
Rot. Bonds4

About N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine

N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine (PubChem CID 80886182) has the molecular formula C9H11N5S2 and a molecular weight of 253.36 g/mol. Its IUPAC name is N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
PubChem CID80886182
Molecular FormulaC9H11N5S2
Molecular Weight253.36 g/mol
Exact Mass253.05
IUPAC NameN-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCCNc1nccc(Sc2nnc(C)s2)n1
InChIInChI=1S/C9H11N5S2/c1-3-10-8-11-5-4-7(12-8)16-9-14-13-6(2)15-9/h4-5H,3H2,1-2H3,(H,10,11,12)
InChIKeyZOZBBMWWVKZURI-UHFFFAOYSA-N
XLogP2.22
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893473
N-ethyl-4-pyridin-4-ylsulfanylpyrimidin-2-amine
CID 80891030
N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine
CID 80882665
N-ethyl-4-propan-2-ylsulfanylpyrimidin-2-amine
CID 80886558
[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]methanamine
CID 107552293
N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 104604948
5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931266
2-N,2-N,4-N-triethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 80873629
N-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886545
2-[(6-fluoro-2-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 61229579
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidine-4-carbonitrile
CID 107551401
4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 112726054

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine (CID 80886182) is N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine is CCNc1nccc(Sc2nnc(C)s2)n1.
What is the InChIKey of N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine?
The InChIKey is ZOZBBMWWVKZURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S2/c1-3-10-8-11-5-4-7(12-8)16-9-14-13-6(2)15-9/h4-5H,3H2,1-2H3,(H,10,11,12).
What are the key properties of N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine?
N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine has a molecular weight of 253.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine is sourced from PubChem (CID 80886182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).