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

C17H18N4OS2 — CID 30269694

IUPACN-(1,3-benzothiazol-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C17H18N4OS2/c22-17(19-16-18-14-3-1-2-4-15(14)24-16)21-8-6-20(7-9-21)11-13-5-10-23-12-13/h1-5,10,12H,6-9,11H2,(H,18,19,22)
InChIKeyOZPDWAVZFXXQJP-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.71
Rot. Bonds3

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

N-(1,3-benzothiazol-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 30269694) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
PubChem CID30269694
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C17H18N4OS2/c22-17(19-16-18-14-3-1-2-4-15(14)24-16)21-8-6-20(7-9-21)11-13-5-10-23-12-13/h1-5,10,12H,6-9,11H2,(H,18,19,22)
InChIKeyOZPDWAVZFXXQJP-UHFFFAOYSA-N
XLogP3.71
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzothiazol-2-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 9180739
2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 24643451
4-[[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]methyl]-N-ethylpiperazine-1-carboxamide
CID 164599593
N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide
CID 51078799
N-(1,3-benzothiazol-2-yl)-4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carboxamide
CID 30299059
N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 53499414
4-[[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]methyl]-N-(3,5-dimethylcyclohexa-1,3-dien-1-yl)piperazine-1-carboxamide
CID 170390751
N-(1,3-benzothiazol-2-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 46699373
N-(1,3-benzothiazol-2-yl)-4-pyrrol-1-ylpiperidine-1-carboxamide
CID 75418516
N-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide
CID 51324893
N-(1,3-benzothiazol-2-yl)morpholine-4-carboxamide;thiocyanic acid
CID 172824956
1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone
CID 9238411

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide (CID 30269694) is N-(1,3-benzothiazol-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide is O=C(Nc1nc2ccccc2s1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is OZPDWAVZFXXQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c22-17(19-16-18-14-3-1-2-4-15(14)24-16)21-8-6-20(7-9-21)11-13-5-10-23-12-13/h1-5,10,12H,6-9,11H2,(H,18,19,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
N-(1,3-benzothiazol-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 30269694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).