[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine

C10H17N3S — CID 107185467

IUPAC[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCC1(C)CCCC1c1nnc(CN)s1
InChIInChI=1S/C10H17N3S/c1-10(2)5-3-4-7(10)9-13-12-8(6-11)14-9/h7H,3-6,11H2,1-2H3
InChIKeyUXERSHNEUDRPPR-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.29
Rot. Bonds2

About [5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine

[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 107185467) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is [5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID107185467
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCC1(C)CCCC1c1nnc(CN)s1
InChIInChI=1S/C10H17N3S/c1-10(2)5-3-4-7(10)9-13-12-8(6-11)14-9/h7H,3-6,11H2,1-2H3
InChIKeyUXERSHNEUDRPPR-UHFFFAOYSA-N
XLogP2.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-(2,3,3-trimethylbutyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 65704787
1-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 65704798
1-[5-(2-cyclopentylethyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 65705387
[5-(4-Butylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 65725529
2-[5-(Cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65725606
2-[5-(2,3,3-Trimethylbutyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65725806
[5-(4-Tert-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 65725954
[5-(Cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 65725956
1-[5-(2-Cyclopentylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 65726025
1-[5-(2,3,3-Trimethylbutyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 65726033
3-[5-(2-Cyclopentylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 65726378
3-[5-(2,3,3-Trimethylbutyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 65726385

Frequently Asked Questions

What is the IUPAC name of [5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine (CID 107185467) is [5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine is CC1(C)CCCC1c1nnc(CN)s1.
What is the InChIKey of [5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is UXERSHNEUDRPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-10(2)5-3-4-7(10)9-13-12-8(6-11)14-9/h7H,3-6,11H2,1-2H3.
What are the key properties of [5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 211.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 107185467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).