3-methyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]butanamide

C21H23N3OS — CID 110305211

IUPAC3-methyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]butanamide
SMILESCC(C)(CC(=O)NCCc1csc(-c2ccncc2)n1)c1ccccc1
InChIInChI=1S/C21H23N3OS/c1-21(2,17-6-4-3-5-7-17)14-19(25)23-13-10-18-15-26-20(24-18)16-8-11-22-12-9-16/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,23,25)
InChIKeyVZYACQOUSMJLKY-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.23
Rot. Bonds7

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

3-methyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]butanamide (PubChem CID 110305211) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 3-methyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]butanamide
PubChem CID110305211
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name3-methyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]butanamide
SMILESCC(C)(CC(=O)NCCc1csc(-c2ccncc2)n1)c1ccccc1
InChIInChI=1S/C21H23N3OS/c1-21(2,17-6-4-3-5-7-17)14-19(25)23-13-10-18-15-26-20(24-18)16-8-11-22-12-9-16/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,23,25)
InChIKeyVZYACQOUSMJLKY-UHFFFAOYSA-N
XLogP4.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330032
N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330030
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
CID 35344893
3-cyclopropyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110305224
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110675529
4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119266976
2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35343942
N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329967
3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110624995
1-(2-hydroxy-2,3-dimethylbutyl)-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
CID 111976952

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]butanamide?
The IUPAC name of 3-methyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]butanamide (CID 110305211) is 3-methyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]butanamide.
What is the SMILES notation for 3-methyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]butanamide?
The canonical SMILES for 3-methyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]butanamide is CC(C)(CC(=O)NCCc1csc(-c2ccncc2)n1)c1ccccc1.
What is the InChIKey of 3-methyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]butanamide?
The InChIKey is VZYACQOUSMJLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-21(2,17-6-4-3-5-7-17)14-19(25)23-13-10-18-15-26-20(24-18)16-8-11-22-12-9-16/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,23,25).
What are the key properties of 3-methyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]butanamide?
3-methyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]butanamide has a molecular weight of 365.50 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 110305211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).