N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine

C9H17N3S — CID 65274450

IUPACN-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CCC(C)Nc1ncns1
InChIInChI=1S/C9H17N3S/c1-7(2)4-5-8(3)12-9-10-6-11-13-9/h6-8H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyWNSMNKFOTGWWRQ-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.77
Rot. Bonds5

About N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine

N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65274450) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65274450
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CCC(C)Nc1ncns1
InChIInChI=1S/C9H17N3S/c1-7(2)4-5-8(3)12-9-10-6-11-13-9/h6-8H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyWNSMNKFOTGWWRQ-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine (CID 65274450) is N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine is CC(C)CCC(C)Nc1ncns1.
What is the InChIKey of N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is WNSMNKFOTGWWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-7(2)4-5-8(3)12-9-10-6-11-13-9/h6-8H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine?
N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 199.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65274450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).