N-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

C20H21N3OS — CID 110649858

IUPACN-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C20H21N3OS/c1-14(2)15-7-3-4-8-16(15)22-19(24)10-11-20-23-18(13-25-20)17-9-5-6-12-21-17/h3-9,12-14H,10-11H2,1-2H3,(H,22,24)
InChIKeyIJTFBKCTLKAIJE-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.90
Rot. Bonds6

About N-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

N-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 110649858) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID110649858
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C20H21N3OS/c1-14(2)15-7-3-4-8-16(15)22-19(24)10-11-20-23-18(13-25-20)17-9-5-6-12-21-17/h3-9,12-14H,10-11H2,1-2H3,(H,22,24)
InChIKeyIJTFBKCTLKAIJE-UHFFFAOYSA-N
XLogP4.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649705
N-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649752
2-(4-methyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 110484551
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide
CID 110468448
1-(4-methylpiperazin-1-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propan-1-one
CID 110647750
N-(pyridin-3-ylmethyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648281
2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119882616
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110450657
2-hydroxy-2-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 111520424

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (CID 110649858) is N-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is CC(C)c1ccccc1NC(=O)CCc1nc(-c2ccccn2)cs1.
What is the InChIKey of N-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is IJTFBKCTLKAIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14(2)15-7-3-4-8-16(15)22-19(24)10-11-20-23-18(13-25-20)17-9-5-6-12-21-17/h3-9,12-14H,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
N-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 351.48 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110649858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).