N-[(1-benzylcyclopropyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine

C16H19N3S — CID 133395328

IUPACN-[(1-benzylcyclopropyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESc1ccc(CC2(CNc3nc(C4CC4)ns3)CC2)cc1
InChIInChI=1S/C16H19N3S/c1-2-4-12(5-3-1)10-16(8-9-16)11-17-15-18-14(19-20-15)13-6-7-13/h1-5,13H,6-11H2,(H,17,18,19)
InChIKeyKVQYZWOHBPPZIS-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.85
Rot. Bonds6

About N-[(1-benzylcyclopropyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine

N-[(1-benzylcyclopropyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (PubChem CID 133395328) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[(1-benzylcyclopropyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1-benzylcyclopropyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
PubChem CID133395328
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-[(1-benzylcyclopropyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESc1ccc(CC2(CNc3nc(C4CC4)ns3)CC2)cc1
InChIInChI=1S/C16H19N3S/c1-2-4-12(5-3-1)10-16(8-9-16)11-17-15-18-14(19-20-15)13-6-7-13/h1-5,13H,6-11H2,(H,17,18,19)
InChIKeyKVQYZWOHBPPZIS-UHFFFAOYSA-N
XLogP3.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylcyclopropyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1-benzylcyclopropyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (CID 133395328) is N-[(1-benzylcyclopropyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1-benzylcyclopropyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1-benzylcyclopropyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is c1ccc(CC2(CNc3nc(C4CC4)ns3)CC2)cc1.
What is the InChIKey of N-[(1-benzylcyclopropyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The InChIKey is KVQYZWOHBPPZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-2-4-12(5-3-1)10-16(8-9-16)11-17-15-18-14(19-20-15)13-6-7-13/h1-5,13H,6-11H2,(H,17,18,19).
What are the key properties of N-[(1-benzylcyclopropyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
N-[(1-benzylcyclopropyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine has a molecular weight of 285.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylcyclopropyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133395328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).