N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-imidazol-1-ylpropan-2-amine

C13H20N4S — CID 43749611

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-imidazol-1-ylpropan-2-amine
SMILESCc1nc(C(C)NC(C)Cn2ccnc2)c(C)s1
InChIInChI=1S/C13H20N4S/c1-9(7-17-6-5-14-8-17)15-10(2)13-11(3)18-12(4)16-13/h5-6,8-10,15H,7H2,1-4H3
InChIKeyPNIPOAJOIDVVEY-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.70
Rot. Bonds5

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-imidazol-1-ylpropan-2-amine

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-imidazol-1-ylpropan-2-amine (PubChem CID 43749611) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-imidazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-imidazol-1-ylpropan-2-amine
PubChem CID43749611
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-imidazol-1-ylpropan-2-amine
SMILESCc1nc(C(C)NC(C)Cn2ccnc2)c(C)s1
InChIInChI=1S/C13H20N4S/c1-9(7-17-6-5-14-8-17)15-10(2)13-11(3)18-12(4)16-13/h5-6,8-10,15H,7H2,1-4H3
InChIKeyPNIPOAJOIDVVEY-UHFFFAOYSA-N
XLogP2.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-imidazol-1-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-imidazol-1-ylpropan-2-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-imidazol-1-ylpropan-2-amine (CID 43749611) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-imidazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-imidazol-1-ylpropan-2-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-imidazol-1-ylpropan-2-amine is Cc1nc(C(C)NC(C)Cn2ccnc2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-imidazol-1-ylpropan-2-amine?
The InChIKey is PNIPOAJOIDVVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-9(7-17-6-5-14-8-17)15-10(2)13-11(3)18-12(4)16-13/h5-6,8-10,15H,7H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-imidazol-1-ylpropan-2-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-imidazol-1-ylpropan-2-amine has a molecular weight of 264.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-imidazol-1-ylpropan-2-amine is sourced from PubChem (CID 43749611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).