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

C11H17N5S — CID 56706870

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCCc1csc(CNC(C)Cn2cncn2)n1
InChIInChI=1S/C11H17N5S/c1-3-10-6-17-11(15-10)4-13-9(2)5-16-8-12-7-14-16/h6-9,13H,3-5H2,1-2H3
InChIKeyKAWPQQXPMZSIGU-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.48
Rot. Bonds6

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

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (PubChem CID 56706870) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
PubChem CID56706870
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCCc1csc(CNC(C)Cn2cncn2)n1
InChIInChI=1S/C11H17N5S/c1-3-10-6-17-11(15-10)4-13-9(2)5-16-8-12-7-14-16/h6-9,13H,3-5H2,1-2H3
InChIKeyKAWPQQXPMZSIGU-UHFFFAOYSA-N
XLogP1.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (CID 56706870) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is CCc1csc(CNC(C)Cn2cncn2)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The InChIKey is KAWPQQXPMZSIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-3-10-6-17-11(15-10)4-13-9(2)5-16-8-12-7-14-16/h6-9,13H,3-5H2,1-2H3.
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine has a molecular weight of 251.36 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is sourced from PubChem (CID 56706870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).