3-methyl-N,N-di(propan-2-yl)-1,2,4-thiadiazol-5-amine

C9H17N3S — CID 59598907

IUPAC3-methyl-N,N-di(propan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(C(C)C)C(C)C)n1
InChIInChI=1S/C9H17N3S/c1-6(2)12(7(3)4)9-10-8(5)11-13-9/h6-7H,1-5H3
InChIKeyQIJHFXRWPPJXJH-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.47
Rot. Bonds3

About 3-methyl-N,N-di(propan-2-yl)-1,2,4-thiadiazol-5-amine

3-methyl-N,N-di(propan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 59598907) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 3-methyl-N,N-di(propan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N,N-di(propan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID59598907
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name3-methyl-N,N-di(propan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(C(C)C)C(C)C)n1
InChIInChI=1S/C9H17N3S/c1-6(2)12(7(3)4)9-10-8(5)11-13-9/h6-7H,1-5H3
InChIKeyQIJHFXRWPPJXJH-UHFFFAOYSA-N
XLogP2.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,N-di(propan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N,N-di(propan-2-yl)-1,2,4-thiadiazol-5-amine (CID 59598907) is 3-methyl-N,N-di(propan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N,N-di(propan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N,N-di(propan-2-yl)-1,2,4-thiadiazol-5-amine is Cc1nsc(N(C(C)C)C(C)C)n1.
What is the InChIKey of 3-methyl-N,N-di(propan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QIJHFXRWPPJXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-6(2)12(7(3)4)9-10-8(5)11-13-9/h6-7H,1-5H3.
What are the key properties of 3-methyl-N,N-di(propan-2-yl)-1,2,4-thiadiazol-5-amine?
3-methyl-N,N-di(propan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 199.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N,N-di(propan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 59598907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).