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

C11H17N5S — CID 55201909

IUPAC5-cyclopropyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCn1cnnc1CCNC1=NCC(C2CC2)S1
InChIInChI=1S/C11H17N5S/c1-16-7-14-15-10(16)4-5-12-11-13-6-9(17-11)8-2-3-8/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyOVXLNGNJSFPKQL-UHFFFAOYSA-N
MW251.36 g/mol
LogP0.83
Rot. Bonds4

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

5-cyclopropyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 55201909) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID55201909
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name5-cyclopropyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCn1cnnc1CCNC1=NCC(C2CC2)S1
InChIInChI=1S/C11H17N5S/c1-16-7-14-15-10(16)4-5-12-11-13-6-9(17-11)8-2-3-8/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyOVXLNGNJSFPKQL-UHFFFAOYSA-N
XLogP0.83
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 55201909) is 5-cyclopropyl-N-[2-(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-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is Cn1cnnc1CCNC1=NCC(C2CC2)S1.
What is the InChIKey of 5-cyclopropyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is OVXLNGNJSFPKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-16-7-14-15-10(16)4-5-12-11-13-6-9(17-11)8-2-3-8/h7-9H,2-6H2,1H3,(H,12,13).
What are the key properties of 5-cyclopropyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-[2-(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 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 55201909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).