N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-pyridin-2-ylacetamide

C24H24ClN3O3S — CID 118344443

IUPACN-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-pyridin-2-ylacetamide
SMILESC[C@@H](/C=C/c1cnc(Oc2ccc(OCC3CC3)cc2Cl)s1)NC(=O)Cc1ccccn1
InChIInChI=1S/C24H24ClN3O3S/c1-16(28-23(29)12-18-4-2-3-11-26-18)5-9-20-14-27-24(32-20)31-22-10-8-19(13-21(22)25)30-15-17-6-7-17/h2-5,8-11,13-14,16-17H,6-7,12,15H2,1H3,(H,28,29)/b9-5+/t16-/m0/s1
InChIKeyRNSIWOUVLUMIJX-RDTXFTJFSA-N
MW469.99 g/mol
LogP5.53
Rot. Bonds10

About N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-pyridin-2-ylacetamide

N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-pyridin-2-ylacetamide (PubChem CID 118344443) has the molecular formula C24H24ClN3O3S and a molecular weight of 469.99 g/mol. Its IUPAC name is N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-pyridin-2-ylacetamide
PubChem CID118344443
Molecular FormulaC24H24ClN3O3S
Molecular Weight469.99 g/mol
Exact Mass469.12
IUPAC NameN-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-pyridin-2-ylacetamide
SMILESC[C@@H](/C=C/c1cnc(Oc2ccc(OCC3CC3)cc2Cl)s1)NC(=O)Cc1ccccn1
InChIInChI=1S/C24H24ClN3O3S/c1-16(28-23(29)12-18-4-2-3-11-26-18)5-9-20-14-27-24(32-20)31-22-10-8-19(13-21(22)25)30-15-17-6-7-17/h2-5,8-11,13-14,16-17H,6-7,12,15H2,1H3,(H,28,29)/b9-5+/t16-/m0/s1
InChIKeyRNSIWOUVLUMIJX-RDTXFTJFSA-N
XLogP5.53
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.99
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-pyridin-2-ylacetamide 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-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-pyridin-2-ylacetamide (CID 118344443) is N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-pyridin-2-ylacetamide is C[C@@H](/C=C/c1cnc(Oc2ccc(OCC3CC3)cc2Cl)s1)NC(=O)Cc1ccccn1.
What is the InChIKey of N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-pyridin-2-ylacetamide?
The InChIKey is RNSIWOUVLUMIJX-RDTXFTJFSA-N. The full InChI is InChI=1S/C24H24ClN3O3S/c1-16(28-23(29)12-18-4-2-3-11-26-18)5-9-20-14-27-24(32-20)31-22-10-8-19(13-21(22)25)30-15-17-6-7-17/h2-5,8-11,13-14,16-17H,6-7,12,15H2,1H3,(H,28,29)/b9-5+/t16-/m0/s1.
What are the key properties of N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-pyridin-2-ylacetamide?
N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-pyridin-2-ylacetamide has a molecular weight of 469.99 g/mol, XLogP of 5.53, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 118344443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).