N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine

C19H22N4S — CID 75515414

IUPACN-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
SMILESCc1nccn1-c1ccc(C(C)NCc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C19H22N4S/c1-13(21-11-19-22-18(12-24-19)16-3-4-16)15-5-7-17(8-6-15)23-10-9-20-14(23)2/h5-10,12-13,16,21H,3-4,11H2,1-2H3
InChIKeyLLKPSAGNYNQGNE-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.37
Rot. Bonds6

About N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine

N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine (PubChem CID 75515414) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
PubChem CID75515414
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC NameN-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
SMILESCc1nccn1-c1ccc(C(C)NCc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C19H22N4S/c1-13(21-11-19-22-18(12-24-19)16-3-4-16)15-5-7-17(8-6-15)23-10-9-20-14(23)2/h5-10,12-13,16,21H,3-4,11H2,1-2H3
InChIKeyLLKPSAGNYNQGNE-UHFFFAOYSA-N
XLogP4.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 97009303
1-[4-[(1S)-1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 97103499
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 97048241
(1R)-N-[[(2S)-1,1-dioxothiolan-2-yl]methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 97103592
3-cyclopropyl-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-amine
CID 97074779
(1R)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
CID 97103526
2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 166263805
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]urea
CID 97048929
6-ethyl-2-methyl-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrimidin-4-amine
CID 133461751
1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912825
(2S)-2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]propanamide
CID 99717701
(1S)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 97065485

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine?
The IUPAC name of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine (CID 75515414) is N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine?
The canonical SMILES for N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine is Cc1nccn1-c1ccc(C(C)NCc2nc(C3CC3)cs2)cc1.
What is the InChIKey of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine?
The InChIKey is LLKPSAGNYNQGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-13(21-11-19-22-18(12-24-19)16-3-4-16)15-5-7-17(8-6-15)23-10-9-20-14(23)2/h5-10,12-13,16,21H,3-4,11H2,1-2H3.
What are the key properties of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine?
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine has a molecular weight of 338.48 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-[4-(2-methylimidazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 75515414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).