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

C16H19N5OS — CID 110680605

IUPAC(4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
SMILESO=C(C1CCc2ncsc2C1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H19N5OS/c22-15(12-2-3-13-14(10-12)23-11-19-13)20-6-8-21(9-7-20)16-17-4-1-5-18-16/h1,4-5,11-12H,2-3,6-10H2
InChIKeyKLLXYSRKTXFFMV-UHFFFAOYSA-N
MW329.43 g/mol
LogP1.39
Rot. Bonds2

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

(4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone (PubChem CID 110680605) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is (4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone.

Molecular Properties

Compound Name(4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
PubChem CID110680605
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name(4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
SMILESO=C(C1CCc2ncsc2C1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H19N5OS/c22-15(12-2-3-13-14(10-12)23-11-19-13)20-6-8-21(9-7-20)16-17-4-1-5-18-16/h1,4-5,11-12H,2-3,6-10H2
InChIKeyKLLXYSRKTXFFMV-UHFFFAOYSA-N
XLogP1.39
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone with MolForge

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Related Compounds

1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazole-6-carbonyl)piperazin-1-yl]ethanone
CID 110680555
azepan-1-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
CID 110680620
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
CID 110680552
[4-(3-methylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
CID 110680601
(4-pyrimidin-2-ylpiperazin-1-yl)-(thiolan-3-yl)methanone
CID 110854975
(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855027
(4-pyrimidin-2-ylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone
CID 84578569
piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827947
(4-pyrimidin-2-ylpiperazin-1-yl)-(thian-3-yl)methanone
CID 110855029
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 56812849
(4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 113203593
N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146126

Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone?
The IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone (CID 110680605) is (4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone.
What is the SMILES notation for (4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone?
The canonical SMILES for (4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone is O=C(C1CCc2ncsc2C1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone?
The InChIKey is KLLXYSRKTXFFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c22-15(12-2-3-13-14(10-12)23-11-19-13)20-6-8-21(9-7-20)16-17-4-1-5-18-16/h1,4-5,11-12H,2-3,6-10H2.
What are the key properties of (4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone?
(4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone has a molecular weight of 329.43 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone is sourced from PubChem (CID 110680605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).