N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine

C19H30N6OS — CID 160746986

IUPACN-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine
SMILESCN1CCN(CC(=O)Nc2nc3ccccc3s2)CC1.CN1CCNCC1
InChIInChI=1S/C14H18N4OS.C5H12N2/c1-17-6-8-18(9-7-17)10-13(19)16-14-15-11-4-2-3-5-12(11)20-14;1-7-4-2-6-3-5-7/h2-5H,6-10H2,1H3,(H,15,16,19);6H,2-5H2,1H3
InChIKeyRWHUWOJYNFTOSN-UHFFFAOYSA-N
MW390.56 g/mol
LogP1.00
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine

N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine (PubChem CID 160746986) has the molecular formula C19H30N6OS and a molecular weight of 390.56 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine
PubChem CID160746986
Molecular FormulaC19H30N6OS
Molecular Weight390.56 g/mol
Exact Mass390.22
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine
SMILESCN1CCN(CC(=O)Nc2nc3ccccc3s2)CC1.CN1CCNCC1
InChIInChI=1S/C14H18N4OS.C5H12N2/c1-17-6-8-18(9-7-17)10-13(19)16-14-15-11-4-2-3-5-12(11)20-14;1-7-4-2-6-3-5-7/h2-5H,6-10H2,1H3,(H,15,16,19);6H,2-5H2,1H3
InChIKeyRWHUWOJYNFTOSN-UHFFFAOYSA-N
XLogP1.00
TPSA63.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.56
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
CID 788494
2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 71901166
N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide
CID 43130620
N-(1,3-benzothiazol-2-yl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 51435714
2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-N-(1,3-benzothiazol-2-yl)acetamide;oxalic acid
CID 71780680
N-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547309
N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 8571610
N-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide
CID 43327538
N-(1,3-benzothiazol-2-yl)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486093
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide
CID 103576642
N-(1,3-benzothiazol-2-yl)-2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780557
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 1437008

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine (CID 160746986) is N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine is CN1CCN(CC(=O)Nc2nc3ccccc3s2)CC1.CN1CCNCC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine?
The InChIKey is RWHUWOJYNFTOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS.C5H12N2/c1-17-6-8-18(9-7-17)10-13(19)16-14-15-11-4-2-3-5-12(11)20-14;1-7-4-2-6-3-5-7/h2-5H,6-10H2,1H3,(H,15,16,19);6H,2-5H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine?
N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine has a molecular weight of 390.56 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine is sourced from PubChem (CID 160746986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).