N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C16H21N7OS — CID 72936759

IUPACN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)NCc1cn2c(n1)SCC2
InChIInChI=1S/C16H21N7OS/c24-14(19-10-13-11-23-8-9-25-16(23)20-13)12-21-4-6-22(7-5-21)15-17-2-1-3-18-15/h1-3,11H,4-10,12H2,(H,19,24)
InChIKeyDBXBCHMXLNBRLH-UHFFFAOYSA-N
MW359.46 g/mol
LogP0.22
Rot. Bonds5

About N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 72936759) has the molecular formula C16H21N7OS and a molecular weight of 359.46 g/mol. Its IUPAC name is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID72936759
Molecular FormulaC16H21N7OS
Molecular Weight359.46 g/mol
Exact Mass359.15
IUPAC NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)NCc1cn2c(n1)SCC2
InChIInChI=1S/C16H21N7OS/c24-14(19-10-13-11-23-8-9-25-16(23)20-13)12-21-4-6-22(7-5-21)15-17-2-1-3-18-15/h1-3,11H,4-10,12H2,(H,19,24)
InChIKeyDBXBCHMXLNBRLH-UHFFFAOYSA-N
XLogP0.22
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-phenylimidazol-1-yl)acetamide
CID 72928761
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 72917320
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetohydrazide
CID 63569943
N-(cyclopropylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 32847121
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131935821
N-(2-ethyl-1,2,4-triazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 156584420
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 109004850
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
CID 39255813
N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 72922564
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46056291
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 72936759) is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ncccn2)CC1)NCc1cn2c(n1)SCC2.
What is the InChIKey of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is DBXBCHMXLNBRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7OS/c24-14(19-10-13-11-23-8-9-25-16(23)20-13)12-21-4-6-22(7-5-21)15-17-2-1-3-18-15/h1-3,11H,4-10,12H2,(H,19,24).
What are the key properties of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 359.46 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 72936759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).