N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine

C11H19N3S — CID 107648211

IUPACN-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2CCCCCC2)s1
InChIInChI=1S/C11H19N3S/c1-9-13-14-11(15-9)12-8-10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H,12,14)
InChIKeyHNURHSNTUDMAPJ-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.23
Rot. Bonds3

About N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine

N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 107648211) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID107648211
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2CCCCCC2)s1
InChIInChI=1S/C11H19N3S/c1-9-13-14-11(15-9)12-8-10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H,12,14)
InChIKeyHNURHSNTUDMAPJ-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine (CID 107648211) is N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NCC2CCCCCC2)s1.
What is the InChIKey of N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HNURHSNTUDMAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9-13-14-11(15-9)12-8-10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H,12,14).
What are the key properties of N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine?
N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 225.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).