N-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide

C20H22N4OS — CID 42896369

IUPACN-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCc1ccc(-c2csc(Nc3ccccn3)n2)cc1
InChIInChI=1S/C20H22N4OS/c1-14(22-15(2)25)6-7-16-8-10-17(11-9-16)18-13-26-20(23-18)24-19-5-3-4-12-21-19/h3-5,8-14H,6-7H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyAXUBWPXMRODLOQ-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.41
Rot. Bonds7

About N-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide

N-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide (PubChem CID 42896369) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
PubChem CID42896369
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCc1ccc(-c2csc(Nc3ccccn3)n2)cc1
InChIInChI=1S/C20H22N4OS/c1-14(22-15(2)25)6-7-16-8-10-17(11-9-16)18-13-26-20(23-18)24-19-5-3-4-12-21-19/h3-5,8-14H,6-7H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyAXUBWPXMRODLOQ-UHFFFAOYSA-N
XLogP4.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750316
N-[(2R)-4-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750342
N-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 40819927
N-[(2S)-4-[4-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750846
N-[(2S)-4-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 9173902
N-[(2R)-4-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 95142326
N-[4-[4-(3-acetamidobutyl)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 17433939
2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 9174080
4-(4-ethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 29457657
N-[4-[4-(3-acetamidobutyl)phenyl]-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 45281419
N-[4-[4-[(3R)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 41250932
4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 122499792

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide?
The IUPAC name of N-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide (CID 42896369) is N-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide.
What is the SMILES notation for N-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide?
The canonical SMILES for N-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide is CC(=O)NC(C)CCc1ccc(-c2csc(Nc3ccccn3)n2)cc1.
What is the InChIKey of N-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide?
The InChIKey is AXUBWPXMRODLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14(22-15(2)25)6-7-16-8-10-17(11-9-16)18-13-26-20(23-18)24-19-5-3-4-12-21-19/h3-5,8-14H,6-7H2,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of N-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide?
N-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide has a molecular weight of 366.49 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide is sourced from PubChem (CID 42896369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).