N-[(2S)-4-[2-[4-(cyclopropylmethoxy)-2-fluorophenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide

C19H21FN2O3S — CID 123687473

IUPACN-[(2S)-4-[2-[4-(cyclopropylmethoxy)-2-fluorophenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C=Cc1cnc(Oc2ccc(OCC3CC3)cc2F)s1
InChIInChI=1S/C19H21FN2O3S/c1-12(22-13(2)23)3-7-16-10-21-19(26-16)25-18-8-6-15(9-17(18)20)24-11-14-4-5-14/h3,6-10,12,14H,4-5,11H2,1-2H3,(H,22,23)/t12-/m0/s1
InChIKeyZXZRFEVSLMXGKF-LBPRGKRZSA-N
MW376.45 g/mol
LogP4.40
Rot. Bonds8

About N-[(2S)-4-[2-[4-(cyclopropylmethoxy)-2-fluorophenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide

N-[(2S)-4-[2-[4-(cyclopropylmethoxy)-2-fluorophenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide (PubChem CID 123687473) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[(2S)-4-[2-[4-(cyclopropylmethoxy)-2-fluorophenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-4-[2-[4-(cyclopropylmethoxy)-2-fluorophenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide
PubChem CID123687473
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[(2S)-4-[2-[4-(cyclopropylmethoxy)-2-fluorophenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C=Cc1cnc(Oc2ccc(OCC3CC3)cc2F)s1
InChIInChI=1S/C19H21FN2O3S/c1-12(22-13(2)23)3-7-16-10-21-19(26-16)25-18-8-6-15(9-17(18)20)24-11-14-4-5-14/h3,6-10,12,14H,4-5,11H2,1-2H3,(H,22,23)/t12-/m0/s1
InChIKeyZXZRFEVSLMXGKF-LBPRGKRZSA-N
XLogP4.40
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-4-[2-[4-(cyclopropylmethoxy)-2-fluorophenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide 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

N-[(2S)-4-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide
CID 123623068
1-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-3-(2-fluoroethyl)urea
CID 118344512
N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-3-methylsulfanylpropanamide
CID 118344399
2-acetamido-N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]pyridine-4-carboxamide
CID 118345279
N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-3-(dimethylamino)propanamide
CID 118344450
tert-butyl N-[2-[[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]amino]-2-oxoethyl]carbamate
CID 118345219
N-[(2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-3-piperidin-1-ylpropanamide
CID 123275105
N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-imidazol-1-ylacetamide
CID 118344449
4-N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 118344534
N-[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]-3-cyanobenzamide
CID 118344475
(2S)-2-[[4-[[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]carbamoyl]pyridine-2-carbonyl]amino]propanoic acid
CID 118344551
ethyl 4-[4-[[(E,2S)-4-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]carbamoyl]-2-pyridinyl]butanoate
CID 160740512

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[2-[4-(cyclopropylmethoxy)-2-fluorophenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide?
The IUPAC name of N-[(2S)-4-[2-[4-(cyclopropylmethoxy)-2-fluorophenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide (CID 123687473) is N-[(2S)-4-[2-[4-(cyclopropylmethoxy)-2-fluorophenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-4-[2-[4-(cyclopropylmethoxy)-2-fluorophenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide?
The canonical SMILES for N-[(2S)-4-[2-[4-(cyclopropylmethoxy)-2-fluorophenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide is CC(=O)N[C@@H](C)C=Cc1cnc(Oc2ccc(OCC3CC3)cc2F)s1.
What is the InChIKey of N-[(2S)-4-[2-[4-(cyclopropylmethoxy)-2-fluorophenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide?
The InChIKey is ZXZRFEVSLMXGKF-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-12(22-13(2)23)3-7-16-10-21-19(26-16)25-18-8-6-15(9-17(18)20)24-11-14-4-5-14/h3,6-10,12,14H,4-5,11H2,1-2H3,(H,22,23)/t12-/m0/s1.
What are the key properties of N-[(2S)-4-[2-[4-(cyclopropylmethoxy)-2-fluorophenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide?
N-[(2S)-4-[2-[4-(cyclopropylmethoxy)-2-fluorophenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide has a molecular weight of 376.45 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-[2-[4-(cyclopropylmethoxy)-2-fluorophenoxy]-1,3-thiazol-5-yl]but-3-en-2-yl]acetamide is sourced from PubChem (CID 123687473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).