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

C12H21N3S — CID 106260873

IUPACN-(cyclopentylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NCC2CCCC2)s1
InChIInChI=1S/C12H21N3S/c1-9(2)7-11-14-15-12(16-11)13-8-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,13,15)
InChIKeyYNDSXDGJFMKXKS-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.34
Rot. Bonds5

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

N-(cyclopentylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106260873) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID106260873
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-(cyclopentylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NCC2CCCC2)s1
InChIInChI=1S/C12H21N3S/c1-9(2)7-11-14-15-12(16-11)13-8-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,13,15)
InChIKeyYNDSXDGJFMKXKS-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(cyclopentylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 106260873) is N-(cyclopentylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(cyclopentylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is CC(C)Cc1nnc(NCC2CCCC2)s1.
What is the InChIKey of N-(cyclopentylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is YNDSXDGJFMKXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9(2)7-11-14-15-12(16-11)13-8-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-(cyclopentylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
N-(cyclopentylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106260873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).