N-(1-cyclopropylpropyl)-5-ethyl-1,3,4-thiadiazol-2-amine

C10H17N3S — CID 107647936

IUPACN-(1-cyclopropylpropyl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(CC)C2CC2)s1
InChIInChI=1S/C10H17N3S/c1-3-8(7-5-6-7)11-10-13-12-9(4-2)14-10/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyQVZZHCKKZGDVPL-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.70
Rot. Bonds5

About N-(1-cyclopropylpropyl)-5-ethyl-1,3,4-thiadiazol-2-amine

N-(1-cyclopropylpropyl)-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 107647936) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-(1-cyclopropylpropyl)-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropyl)-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID107647936
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-(1-cyclopropylpropyl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(CC)C2CC2)s1
InChIInChI=1S/C10H17N3S/c1-3-8(7-5-6-7)11-10-13-12-9(4-2)14-10/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyQVZZHCKKZGDVPL-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1-cyclopropylpropyl)-5-ethyl-1,3,4-thiadiazol-2-amine (CID 107647936) is N-(1-cyclopropylpropyl)-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1-cyclopropylpropyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1-cyclopropylpropyl)-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(NC(CC)C2CC2)s1.
What is the InChIKey of N-(1-cyclopropylpropyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QVZZHCKKZGDVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-8(7-5-6-7)11-10-13-12-9(4-2)14-10/h7-8H,3-6H2,1-2H3,(H,11,13).
What are the key properties of N-(1-cyclopropylpropyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
N-(1-cyclopropylpropyl)-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropyl)-5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).