[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C20H20N6OS — CID 87044934

IUPAC[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1nn2cccnc2c1C(=O)N1CCN(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C20H20N6OS/c1-14-18(19-21-7-4-8-26(19)23-14)20(27)25-11-9-24(10-12-25)13-17-22-15-5-2-3-6-16(15)28-17/h2-8H,9-13H2,1H3
InChIKeyUQCARMWYRZMDQX-UHFFFAOYSA-N
MW392.49 g/mol
LogP2.61
Rot. Bonds3

About [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 87044934) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID87044934
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC Name[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1nn2cccnc2c1C(=O)N1CCN(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C20H20N6OS/c1-14-18(19-21-7-4-8-26(19)23-14)20(27)25-11-9-24(10-12-25)13-17-22-15-5-2-3-6-16(15)28-17/h2-8H,9-13H2,1H3
InChIKeyUQCARMWYRZMDQX-UHFFFAOYSA-N
XLogP2.61
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone
CID 9238411
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 9225909
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 122159174
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 9238002
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 42884687
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 9166165
2-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 87044984
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 9238489
[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 55819178
(4-methylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 87009980
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 51206243
N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide
CID 31748019

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 87044934) is [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is Cc1nn2cccnc2c1C(=O)N1CCN(Cc2nc3ccccc3s2)CC1.
What is the InChIKey of [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is UQCARMWYRZMDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-14-18(19-21-7-4-8-26(19)23-14)20(27)25-11-9-24(10-12-25)13-17-22-15-5-2-3-6-16(15)28-17/h2-8H,9-13H2,1H3.
What are the key properties of [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 392.49 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 87044934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).