5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C11H17N7S2 — CID 80931194

IUPAC5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCc1c(NN)ncnc1Sc1nnc(N(C)C)s1
InChIInChI=1S/C11H17N7S2/c1-4-5-7-8(15-12)13-6-14-9(7)19-11-17-16-10(20-11)18(2)3/h6H,4-5,12H2,1-3H3,(H,13,14,15)
InChIKeyPCHDBZBUKPIMKE-UHFFFAOYSA-N
MW311.44 g/mol
LogP1.78
Rot. Bonds6

About 5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80931194) has the molecular formula C11H17N7S2 and a molecular weight of 311.44 g/mol. Its IUPAC name is 5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID80931194
Molecular FormulaC11H17N7S2
Molecular Weight311.44 g/mol
Exact Mass311.10
IUPAC Name5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCc1c(NN)ncnc1Sc1nnc(N(C)C)s1
InChIInChI=1S/C11H17N7S2/c1-4-5-7-8(15-12)13-6-14-9(7)19-11-17-16-10(20-11)18(2)3/h6H,4-5,12H2,1-3H3,(H,13,14,15)
InChIKeyPCHDBZBUKPIMKE-UHFFFAOYSA-N
XLogP1.78
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80930893
5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80882929
5-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931340
N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propylpyrimidin-4-amine
CID 115384439
N,N-dimethyl-5-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 80882839
2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80923227
6-hydrazinyl-N,N-dimethyl-5-propylpyrimidin-4-amine
CID 80932720
[6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine
CID 80921884
N,N-dimethyl-5-[6-(methylamino)-5-nitropyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 80882840
[5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80929836
N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80886227
5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80885817

Frequently Asked Questions

What is the IUPAC name of 5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 80931194) is 5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCCc1c(NN)ncnc1Sc1nnc(N(C)C)s1.
What is the InChIKey of 5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is PCHDBZBUKPIMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7S2/c1-4-5-7-8(15-12)13-6-14-9(7)19-11-17-16-10(20-11)18(2)3/h6H,4-5,12H2,1-3H3,(H,13,14,15).
What are the key properties of 5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 311.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80931194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).