N-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

C13H23N3S — CID 114165506

IUPACN-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC2CCCC2(C)C)s1
InChIInChI=1S/C13H23N3S/c1-9(2)8-11-15-16-12(17-11)14-10-6-5-7-13(10,3)4/h9-10H,5-8H2,1-4H3,(H,14,16)
InChIKeyVIPXALJGUKMTMP-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.73
Rot. Bonds4

About N-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

N-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114165506) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID114165506
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC2CCCC2(C)C)s1
InChIInChI=1S/C13H23N3S/c1-9(2)8-11-15-16-12(17-11)14-10-6-5-7-13(10,3)4/h9-10H,5-8H2,1-4H3,(H,14,16)
InChIKeyVIPXALJGUKMTMP-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647857
N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165428
5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine
CID 79873409
5-(2-methylpropyl)-N-piperidin-4-yl-1,3,4-thiadiazol-2-amine
CID 106260980
N-(3-methylcyclobutyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260659
N-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260177
2,2-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 138992387
N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165463
N-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260643
N-(cyclopropylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260949
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide
CID 106261056

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 114165506) is N-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is CC(C)Cc1nnc(NC2CCCC2(C)C)s1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VIPXALJGUKMTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-9(2)8-11-15-16-12(17-11)14-10-6-5-7-13(10,3)4/h9-10H,5-8H2,1-4H3,(H,14,16).
What are the key properties of N-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
N-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114165506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).