N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide

C21H22N4O2S — CID 11383851

IUPACN-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
SMILESCC(C)c1cnc(NC(=O)Cc2ccc(NC(=O)Cc3cccnc3)cc2)s1
InChIInChI=1S/C21H22N4O2S/c1-14(2)18-13-23-21(28-18)25-20(27)10-15-5-7-17(8-6-15)24-19(26)11-16-4-3-9-22-12-16/h3-9,12-14H,10-11H2,1-2H3,(H,24,26)(H,23,25,27)
InChIKeyBMJVLRNFMGJTRE-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.02
Rot. Bonds7

About N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide

N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide (PubChem CID 11383851) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
PubChem CID11383851
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
SMILESCC(C)c1cnc(NC(=O)Cc2ccc(NC(=O)Cc3cccnc3)cc2)s1
InChIInChI=1S/C21H22N4O2S/c1-14(2)18-13-23-21(28-18)25-20(27)10-15-5-7-17(8-6-15)24-19(26)11-16-4-3-9-22-12-16/h3-9,12-14H,10-11H2,1-2H3,(H,24,26)(H,23,25,27)
InChIKeyBMJVLRNFMGJTRE-UHFFFAOYSA-N
XLogP4.02
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-aminoacetyl)amino]phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 10131664
N-(1,3-oxazol-2-yl)-2-pyridin-3-ylacetamide;N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-thiophen-3-ylacetamide
CID 174457442
N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide
CID 172559282
5-methyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]pyrazine-2-carboxamide
CID 11269455
2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 134384658
N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 11270186
N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 22170729
N-cyclopropyl-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 131905029
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide
CID 62690565
N-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide
CID 126803646
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
2-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 10155339

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide?
The IUPAC name of N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide (CID 11383851) is N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide?
The canonical SMILES for N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide is CC(C)c1cnc(NC(=O)Cc2ccc(NC(=O)Cc3cccnc3)cc2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide?
The InChIKey is BMJVLRNFMGJTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-14(2)18-13-23-21(28-18)25-20(27)10-15-5-7-17(8-6-15)24-19(26)11-16-4-3-9-22-12-16/h3-9,12-14H,10-11H2,1-2H3,(H,24,26)(H,23,25,27).
What are the key properties of N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide?
N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide has a molecular weight of 394.50 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide is sourced from PubChem (CID 11383851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).