N-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine

C14H16ClN3S — CID 114367264

IUPACN-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccc(Cl)cn2)nc1C1CC1
InChIInChI=1S/C14H16ClN3S/c1-2-16-8-12-13(9-3-4-9)18-14(19-12)11-6-5-10(15)7-17-11/h5-7,9,16H,2-4,8H2,1H3
InChIKeyYTBPMFXQQZSFOP-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.85
Rot. Bonds5

About N-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114367264) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is N-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114367264
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC NameN-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccc(Cl)cn2)nc1C1CC1
InChIInChI=1S/C14H16ClN3S/c1-2-16-8-12-13(9-3-4-9)18-14(19-12)11-6-5-10(15)7-17-11/h5-7,9,16H,2-4,8H2,1H3
InChIKeyYTBPMFXQQZSFOP-UHFFFAOYSA-N
XLogP3.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine 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-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 114367264) is N-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2ccc(Cl)cn2)nc1C1CC1.
What is the InChIKey of N-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is YTBPMFXQQZSFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c1-2-16-8-12-13(9-3-4-9)18-14(19-12)11-6-5-10(15)7-17-11/h5-7,9,16H,2-4,8H2,1H3.
What are the key properties of N-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 293.82 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114367264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).