N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide

C19H20N4O2S2 — CID 31748019

IUPACN-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)s1
InChIInChI=1S/C19H20N4O2S2/c1-13(24)20-17-7-6-16(27-17)19(25)23-10-8-22(9-11-23)12-18-21-14-4-2-3-5-15(14)26-18/h2-7H,8-12H2,1H3,(H,20,24)
InChIKeyOSRNOXDFQWGSDE-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.27
Rot. Bonds4

About N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide

N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide (PubChem CID 31748019) has the molecular formula C19H20N4O2S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide
PubChem CID31748019
Molecular FormulaC19H20N4O2S2
Molecular Weight400.53 g/mol
Exact Mass400.10
IUPAC NameN-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)s1
InChIInChI=1S/C19H20N4O2S2/c1-13(24)20-17-7-6-16(27-17)19(25)23-10-8-22(9-11-23)12-18-21-14-4-2-3-5-15(14)26-18/h2-7H,8-12H2,1H3,(H,20,24)
InChIKeyOSRNOXDFQWGSDE-UHFFFAOYSA-N
XLogP3.27
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-[4-(2-methylpropyl)phenyl]methanone
CID 8623931
[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]phenyl]urea
CID 78777861
[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxoethyl] acetate
CID 9239432
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 9238489
[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]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 122159174
4-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 9070499
5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 24611300
N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]thiophen-2-yl]acetamide
CID 18129572
[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

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide?
The IUPAC name of N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide (CID 31748019) is N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide.
What is the SMILES notation for N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide?
The canonical SMILES for N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCN(Cc3nc4ccccc4s3)CC2)s1.
What is the InChIKey of N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide?
The InChIKey is OSRNOXDFQWGSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S2/c1-13(24)20-17-7-6-16(27-17)19(25)23-10-8-22(9-11-23)12-18-21-14-4-2-3-5-15(14)26-18/h2-7H,8-12H2,1H3,(H,20,24).
What are the key properties of N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide?
N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide has a molecular weight of 400.53 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide is sourced from PubChem (CID 31748019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).