N,5-dimethyl-1,3,4-thiadiazol-2-amine;ethane;5-methyl-1H-1,2,4-triazole

C9H18N6S — CID 142287228

IUPACN,5-dimethyl-1,3,4-thiadiazol-2-amine;ethane;5-methyl-1H-1,2,4-triazole
SMILESCC.CNc1nnc(C)s1.Cc1ncn[nH]1
InChIInChI=1S/C4H7N3S.C3H5N3.C2H6/c1-3-6-7-4(5-2)8-3;1-3-4-2-5-6-3;1-2/h1-2H3,(H,5,7);2H,1H3,(H,4,5,6);1-2H3
InChIKeyYKYKTTPFTTUWQN-UHFFFAOYSA-N
MW242.35 g/mol
LogP2.03
Rot. Bonds1

About N,5-dimethyl-1,3,4-thiadiazol-2-amine;ethane;5-methyl-1H-1,2,4-triazole

N,5-dimethyl-1,3,4-thiadiazol-2-amine;ethane;5-methyl-1H-1,2,4-triazole (PubChem CID 142287228) has the molecular formula C9H18N6S and a molecular weight of 242.35 g/mol. Its IUPAC name is N,5-dimethyl-1,3,4-thiadiazol-2-amine;ethane;5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound NameN,5-dimethyl-1,3,4-thiadiazol-2-amine;ethane;5-methyl-1H-1,2,4-triazole
PubChem CID142287228
Molecular FormulaC9H18N6S
Molecular Weight242.35 g/mol
Exact Mass242.13
IUPAC NameN,5-dimethyl-1,3,4-thiadiazol-2-amine;ethane;5-methyl-1H-1,2,4-triazole
SMILESCC.CNc1nnc(C)s1.Cc1ncn[nH]1
InChIInChI=1S/C4H7N3S.C3H5N3.C2H6/c1-3-6-7-4(5-2)8-3;1-3-4-2-5-6-3;1-2/h1-2H3,(H,5,7);2H,1H3,(H,4,5,6);1-2H3
InChIKeyYKYKTTPFTTUWQN-UHFFFAOYSA-N
XLogP2.03
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1,3,4-thiadiazol-2-amine;ethane;5-methyl-1H-1,2,4-triazole?
The IUPAC name of N,5-dimethyl-1,3,4-thiadiazol-2-amine;ethane;5-methyl-1H-1,2,4-triazole (CID 142287228) is N,5-dimethyl-1,3,4-thiadiazol-2-amine;ethane;5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for N,5-dimethyl-1,3,4-thiadiazol-2-amine;ethane;5-methyl-1H-1,2,4-triazole?
The canonical SMILES for N,5-dimethyl-1,3,4-thiadiazol-2-amine;ethane;5-methyl-1H-1,2,4-triazole is CC.CNc1nnc(C)s1.Cc1ncn[nH]1.
What is the InChIKey of N,5-dimethyl-1,3,4-thiadiazol-2-amine;ethane;5-methyl-1H-1,2,4-triazole?
The InChIKey is YKYKTTPFTTUWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S.C3H5N3.C2H6/c1-3-6-7-4(5-2)8-3;1-3-4-2-5-6-3;1-2/h1-2H3,(H,5,7);2H,1H3,(H,4,5,6);1-2H3.
What are the key properties of N,5-dimethyl-1,3,4-thiadiazol-2-amine;ethane;5-methyl-1H-1,2,4-triazole?
N,5-dimethyl-1,3,4-thiadiazol-2-amine;ethane;5-methyl-1H-1,2,4-triazole has a molecular weight of 242.35 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1,3,4-thiadiazol-2-amine;ethane;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 142287228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).