4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide

C18H22N6OS — CID 72912494

IUPAC4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCC(C)n1nccc1NC(=O)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H22N6OS/c1-13(2)24-16(7-8-19-24)21-17(25)22-9-11-23(12-10-22)18-20-14-5-3-4-6-15(14)26-18/h3-8,13H,9-12H2,1-2H3,(H,21,25)
InChIKeyBBMFGKJLJUVQIB-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.43
Rot. Bonds3

About 4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide

4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide (PubChem CID 72912494) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide
PubChem CID72912494
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCC(C)n1nccc1NC(=O)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H22N6OS/c1-13(2)24-16(7-8-19-24)21-17(25)22-9-11-23(12-10-22)18-20-14-5-3-4-6-15(14)26-18/h3-8,13H,9-12H2,1-2H3,(H,21,25)
InChIKeyBBMFGKJLJUVQIB-UHFFFAOYSA-N
XLogP3.43
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone
CID 70770931
N-(2-propan-2-ylpyrazol-3-yl)morpholine-4-carboxamide
CID 47198657
3-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)prop-2-enamide
CID 78772190
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 7136377
4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 11610179
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 121082961
2-amino-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 24760998
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 70756164
(2S)-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 95881202
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 121082962
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridazin-4-ylmethanone
CID 86285492
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18156008

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide (CID 72912494) is 4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide is CC(C)n1nccc1NC(=O)N1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide?
The InChIKey is BBMFGKJLJUVQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-13(2)24-16(7-8-19-24)21-17(25)22-9-11-23(12-10-22)18-20-14-5-3-4-6-15(14)26-18/h3-8,13H,9-12H2,1-2H3,(H,21,25).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide?
4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 72912494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).