N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3,4-thiadiazol-2-amine

C12H17N3S — CID 107648835

IUPACN-(8-tricyclo[5.2.1.02,6]decanyl)-1,3,4-thiadiazol-2-amine
SMILESc1nnc(NC2CC3CC2C2CCCC32)s1
InChIInChI=1S/C12H17N3S/c1-2-8-7-4-10(9(8)3-1)11(5-7)14-12-15-13-6-16-12/h6-11H,1-5H2,(H,14,15)
InChIKeySNGZOKSEGVSLNX-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.77
Rot. Bonds2

About N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3,4-thiadiazol-2-amine

N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 107648835) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(8-tricyclo[5.2.1.02,6]decanyl)-1,3,4-thiadiazol-2-amine
PubChem CID107648835
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-(8-tricyclo[5.2.1.02,6]decanyl)-1,3,4-thiadiazol-2-amine
SMILESc1nnc(NC2CC3CC2C2CCCC32)s1
InChIInChI=1S/C12H17N3S/c1-2-8-7-4-10(9(8)3-1)11(5-7)14-12-15-13-6-16-12/h6-11H,1-5H2,(H,14,15)
InChIKeySNGZOKSEGVSLNX-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
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-(8-tricyclo[5.2.1.02,6]decanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3,4-thiadiazol-2-amine (CID 107648835) is N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3,4-thiadiazol-2-amine is c1nnc(NC2CC3CC2C2CCCC32)s1.
What is the InChIKey of N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is SNGZOKSEGVSLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-2-8-7-4-10(9(8)3-1)11(5-7)14-12-15-13-6-16-12/h6-11H,1-5H2,(H,14,15).
What are the key properties of N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3,4-thiadiazol-2-amine?
N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 235.36 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-tricyclo[5.2.1.02,6]decanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).