N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide

C14H14N4OS — CID 115331463

IUPACN-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2cn3ccsc3n2)c1
InChIInChI=1S/C14H14N4OS/c1-10(19)16-12-4-2-3-11(7-12)15-8-13-9-18-5-6-20-14(18)17-13/h2-7,9,15H,8H2,1H3,(H,16,19)
InChIKeyWCFFWMBNVLAYEM-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.97
Rot. Bonds4

About N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide

N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide (PubChem CID 115331463) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide
PubChem CID115331463
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2cn3ccsc3n2)c1
InChIInChI=1S/C14H14N4OS/c1-10(19)16-12-4-2-3-11(7-12)15-8-13-9-18-5-6-20-14(18)17-13/h2-7,9,15H,8H2,1H3,(H,16,19)
InChIKeyWCFFWMBNVLAYEM-UHFFFAOYSA-N
XLogP2.97
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 134027726
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine
CID 115331690
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-3-(trifluoromethyl)aniline
CID 115331578
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline
CID 115331566
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
N-[3-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
CID 71972939
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine
CID 107804908
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 55800466
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline
CID 113288748
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline
CID 115331445
[2-(3-ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4243740
[2-(3-methoxyanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8817579

Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide (CID 115331463) is N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide is CC(=O)Nc1cccc(NCc2cn3ccsc3n2)c1.
What is the InChIKey of N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide?
The InChIKey is WCFFWMBNVLAYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-10(19)16-12-4-2-3-11(7-12)15-8-13-9-18-5-6-20-14(18)17-13/h2-7,9,15H,8H2,1H3,(H,16,19).
What are the key properties of N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide?
N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide has a molecular weight of 286.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 115331463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).