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

C18H23N5OS — CID 71601705

IUPAC2-(4-pyridin-4-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2ccncc2)CC1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C18H23N5OS/c24-17(21-18-20-15-3-1-2-4-16(15)25-18)13-22-9-11-23(12-10-22)14-5-7-19-8-6-14/h5-8H,1-4,9-13H2,(H,20,21,24)
InChIKeyPEWAVWFWIGAPGO-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.18
Rot. Bonds4

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

2-(4-pyridin-4-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 71601705) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(4-pyridin-4-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-pyridin-4-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID71601705
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name2-(4-pyridin-4-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2ccncc2)CC1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C18H23N5OS/c24-17(21-18-20-15-3-1-2-4-16(15)25-18)13-22-9-11-23(12-10-22)14-5-7-19-8-6-14/h5-8H,1-4,9-13H2,(H,20,21,24)
InChIKeyPEWAVWFWIGAPGO-UHFFFAOYSA-N
XLogP2.18
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-pyridin-4-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide with MolForge

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Related Compounds

[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-yl]-(4-piperazin-1-yl-phenyl)-amine
CID 10022738
[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 10091185
2-[4-(5-fluoropyridin-2-yl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71601847
N-(5-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 46872297
1-Phenyl-3-(4-pyridin-2-yl-thiazol-2-yl)-urea
CID 10590030
[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-piperazin-1-yl-phenyl)-amine
CID 10090332
3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2594420
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 667090
1-(4-(4-(4-(2,4-Dimethylthiazol-5-yl)pyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone
CID 10024433
1-(4-(4-(4-(4-Methyl-2-(methylamino)thiazol-5-yl)pyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone
CID 10320107
2-methyl-N-(6-methyl-2-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 11558879
1-[4-[3-[[4-[4-Methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 11575426

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-4-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-pyridin-4-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 71601705) is 2-(4-pyridin-4-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-pyridin-4-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-pyridin-4-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is O=C(CN1CCN(c2ccncc2)CC1)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-(4-pyridin-4-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is PEWAVWFWIGAPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c24-17(21-18-20-15-3-1-2-4-16(15)25-18)13-22-9-11-23(12-10-22)14-5-7-19-8-6-14/h5-8H,1-4,9-13H2,(H,20,21,24).
What are the key properties of 2-(4-pyridin-4-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(4-pyridin-4-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 357.48 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-4-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 71601705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).