N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide

C16H20N2O2S — CID 35345566

IUPACN-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1csc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C16H20N2O2S/c1-3-4-15(19)17-10-9-13-11-21-16(18-13)12-5-7-14(20-2)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,19)
InChIKeySLDJRDKBUGCRCU-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.28
Rot. Bonds7

About N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide

N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide (PubChem CID 35345566) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
PubChem CID35345566
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1csc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C16H20N2O2S/c1-3-4-15(19)17-10-9-13-11-21-16(18-13)12-5-7-14(20-2)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,19)
InChIKeySLDJRDKBUGCRCU-UHFFFAOYSA-N
XLogP3.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
CID 35344893
ethyl N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]carbamate
CID 110317496
1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317498
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)propanamide
CID 72719801
N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333309
N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330031
2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160
2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119214
4-(4-methoxyphenyl)-4-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110624951
2-(4-chlorophenoxy)-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 7518324
2-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 17164148
(2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35574095

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide (CID 35345566) is N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide is CCCC(=O)NCCc1csc(-c2ccc(OC)cc2)n1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide?
The InChIKey is SLDJRDKBUGCRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-4-15(19)17-10-9-13-11-21-16(18-13)12-5-7-14(20-2)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide?
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide has a molecular weight of 304.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide is sourced from PubChem (CID 35345566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).