2-[3-[(4-aminopiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]benzamide

C18H21N5OS — CID 68668358

IUPAC2-[3-[(4-aminopiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]benzamide
SMILESNC(=O)c1ccccc1-c1cn2c(CN3CCC(N)CC3)csc2n1
InChIInChI=1S/C18H21N5OS/c19-12-5-7-22(8-6-12)9-13-11-25-18-21-16(10-23(13)18)14-3-1-2-4-15(14)17(20)24/h1-4,10-12H,5-9,19H2,(H2,20,24)
InChIKeyMLGMIKBFDDIXPE-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.08
Rot. Bonds4

About 2-[3-[(4-aminopiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]benzamide

2-[3-[(4-aminopiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]benzamide (PubChem CID 68668358) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 2-[3-[(4-aminopiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]benzamide.

Molecular Properties

Compound Name2-[3-[(4-aminopiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]benzamide
PubChem CID68668358
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name2-[3-[(4-aminopiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]benzamide
SMILESNC(=O)c1ccccc1-c1cn2c(CN3CCC(N)CC3)csc2n1
InChIInChI=1S/C18H21N5OS/c19-12-5-7-22(8-6-12)9-13-11-25-18-21-16(10-23(13)18)14-3-1-2-4-15(14)17(20)24/h1-4,10-12H,5-9,19H2,(H2,20,24)
InChIKeyMLGMIKBFDDIXPE-UHFFFAOYSA-N
XLogP2.08
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(1,2,4-triazol-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]benzamide
CID 68725692
2-[2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1-naphthalen-2-ylethanone
CID 159158573
tert-butyl 4-[[6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]piperazine-1-carboxylate
CID 25232525
4-cyano-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 59680302
4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 59680148
ethyl 2-[6-(2-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 19224615
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
CID 43556502
2-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]aniline
CID 25232704
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
CID 143961926
2-[6-(2,3-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
CID 103695141
4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 25108829
[6-(2-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 45195627

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-aminopiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
The IUPAC name of 2-[3-[(4-aminopiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]benzamide (CID 68668358) is 2-[3-[(4-aminopiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]benzamide.
What is the SMILES notation for 2-[3-[(4-aminopiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
The canonical SMILES for 2-[3-[(4-aminopiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]benzamide is NC(=O)c1ccccc1-c1cn2c(CN3CCC(N)CC3)csc2n1.
What is the InChIKey of 2-[3-[(4-aminopiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
The InChIKey is MLGMIKBFDDIXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c19-12-5-7-22(8-6-12)9-13-11-25-18-21-16(10-23(13)18)14-3-1-2-4-15(14)17(20)24/h1-4,10-12H,5-9,19H2,(H2,20,24).
What are the key properties of 2-[3-[(4-aminopiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]benzamide?
2-[3-[(4-aminopiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]benzamide has a molecular weight of 355.47 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-aminopiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]benzamide is sourced from PubChem (CID 68668358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).