5-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C11H17N5S — CID 55171419

IUPAC5-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(NC1=NCC(C2CC2)S1)c1nncn1C
InChIInChI=1S/C11H17N5S/c1-7(10-15-13-6-16(10)2)14-11-12-5-9(17-11)8-3-4-8/h6-9H,3-5H2,1-2H3,(H,12,14)
InChIKeyNZQPADWLPYWPFF-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.35
Rot. Bonds3

About 5-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 55171419) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID55171419
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name5-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(NC1=NCC(C2CC2)S1)c1nncn1C
InChIInChI=1S/C11H17N5S/c1-7(10-15-13-6-16(10)2)14-11-12-5-9(17-11)8-3-4-8/h6-9H,3-5H2,1-2H3,(H,12,14)
InChIKeyNZQPADWLPYWPFF-UHFFFAOYSA-N
XLogP1.35
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 55171419) is 5-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is CC(NC1=NCC(C2CC2)S1)c1nncn1C.
What is the InChIKey of 5-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NZQPADWLPYWPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-7(10-15-13-6-16(10)2)14-11-12-5-9(17-11)8-3-4-8/h6-9H,3-5H2,1-2H3,(H,12,14).
What are the key properties of 5-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 251.36 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 55171419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).