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

C18H25N5OS — CID 11610179

IUPAC4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCN1CCC(NC(=O)N2CCN(c3nc4ccccc4s3)CC2)CC1
InChIInChI=1S/C18H25N5OS/c1-21-8-6-14(7-9-21)19-17(24)22-10-12-23(13-11-22)18-20-15-4-2-3-5-16(15)25-18/h2-5,14H,6-13H2,1H3,(H,19,24)
InChIKeyCRVOKJHRKYXWCK-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.22
Rot. Bonds2

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

4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide (PubChem CID 11610179) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
PubChem CID11610179
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCN1CCC(NC(=O)N2CCN(c3nc4ccccc4s3)CC2)CC1
InChIInChI=1S/C18H25N5OS/c1-21-8-6-14(7-9-21)19-17(24)22-10-12-23(13-11-22)18-20-15-4-2-3-5-16(15)25-18/h2-5,14H,6-13H2,1H3,(H,19,24)
InChIKeyCRVOKJHRKYXWCK-UHFFFAOYSA-N
XLogP2.22
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 34042322
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 7136377
2-amino-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 24760998
4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide
CID 72912494
N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-methoxypyridine-3-carboxamide
CID 166190921
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 121082961
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
N-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide
CID 126771166
1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-ethoxyphenyl)urea
CID 23609690
methyl 3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]propanoate
CID 78982803
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane
CID 143404437
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-pyridazin-4-ylmethanone
CID 86285492

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide (CID 11610179) is 4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide is CN1CCC(NC(=O)N2CCN(c3nc4ccccc4s3)CC2)CC1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide?
The InChIKey is CRVOKJHRKYXWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-21-8-6-14(7-9-21)19-17(24)22-10-12-23(13-11-22)18-20-15-4-2-3-5-16(15)25-18/h2-5,14H,6-13H2,1H3,(H,19,24).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide?
4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 11610179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).