2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C17H22N6OS — CID 71601845

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C17H22N6OS/c24-15(21-17-20-13-4-1-2-5-14(13)25-17)12-22-8-10-23(11-9-22)16-18-6-3-7-19-16/h3,6-7H,1-2,4-5,8-12H2,(H,20,21,24)
InChIKeyDFKCARHIJRYHHI-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.57
Rot. Bonds4

About 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 71601845) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID71601845
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C17H22N6OS/c24-15(21-17-20-13-4-1-2-5-14(13)25-17)12-22-8-10-23(11-9-22)16-18-6-3-7-19-16/h3,6-7H,1-2,4-5,8-12H2,(H,20,21,24)
InChIKeyDFKCARHIJRYHHI-UHFFFAOYSA-N
XLogP1.57
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(5-fluoropyridin-2-yl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71601847
2-(4-pyridin-2-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71601703
2-(4-pyridin-3-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71601704
2-(4-pyridin-4-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71601705
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 45810875
1-Cyclohexyl-3-(4-(3-oxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)propyl)thiazol-2-yl)urea
CID 27377339
6-(piperidin-1-yl)-N-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)pyrimidine-4-carboxamide
CID 91628642
2-methyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide
CID 71940521
(2S)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 95761897
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 42960957
2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 46980855
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 2945302

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 71601845) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is O=C(CN1CCN(c2ncccn2)CC1)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is DFKCARHIJRYHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c24-15(21-17-20-13-4-1-2-5-14(13)25-17)12-22-8-10-23(11-9-22)16-18-6-3-7-19-16/h3,6-7H,1-2,4-5,8-12H2,(H,20,21,24).
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 358.47 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 71601845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).