N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopiperazine-2-carboxamide

C12H11ClN4O2S — CID 107434143

IUPACN-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)Nc2c(Cl)ccc3scnc23)CN1
InChIInChI=1S/C12H11ClN4O2S/c13-6-1-2-8-11(16-5-20-8)10(6)17-12(19)7-3-15-9(18)4-14-7/h1-2,5,7,14H,3-4H2,(H,15,18)(H,17,19)
InChIKeyGPDYJYATMBHYBI-UHFFFAOYSA-N
MW310.77 g/mol
LogP0.98
Rot. Bonds2

About N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopiperazine-2-carboxamide

N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopiperazine-2-carboxamide (PubChem CID 107434143) has the molecular formula C12H11ClN4O2S and a molecular weight of 310.77 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopiperazine-2-carboxamide
PubChem CID107434143
Molecular FormulaC12H11ClN4O2S
Molecular Weight310.77 g/mol
Exact Mass310.03
IUPAC NameN-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopiperazine-2-carboxamide
SMILESO=C1CNC(C(=O)Nc2c(Cl)ccc3scnc23)CN1
InChIInChI=1S/C12H11ClN4O2S/c13-6-1-2-8-11(16-5-20-8)10(6)17-12(19)7-3-15-9(18)4-14-7/h1-2,5,7,14H,3-4H2,(H,15,18)(H,17,19)
InChIKeyGPDYJYATMBHYBI-UHFFFAOYSA-N
XLogP0.98
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 83192842
5-oxo-N-(1,3-thiazol-2-yl)piperazine-2-carboxamide
CID 107433315
N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide
CID 107437364
N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide
CID 107433398
5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide
CID 107437746
N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107621868
N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-5-oxopiperazine-2-carboxamide
CID 107434171
3-chloro-4-[(5-oxopiperazine-2-carbonyl)amino]benzoic acid
CID 107436673
N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569
5-oxo-N-(thiadiazol-5-yl)piperazine-2-carboxamide
CID 107437804
tert-butyl N-(5-chloro-1,3-benzothiazol-4-yl)carbamate
CID 65142628
N-(5-chloro-1,3-benzothiazol-4-yl)-2-piperidin-4-yloxyacetamide
CID 63877586

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopiperazine-2-carboxamide (CID 107434143) is N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopiperazine-2-carboxamide is O=C1CNC(C(=O)Nc2c(Cl)ccc3scnc23)CN1.
What is the InChIKey of N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopiperazine-2-carboxamide?
The InChIKey is GPDYJYATMBHYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2S/c13-6-1-2-8-11(16-5-20-8)10(6)17-12(19)7-3-15-9(18)4-14-7/h1-2,5,7,14H,3-4H2,(H,15,18)(H,17,19).
What are the key properties of N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopiperazine-2-carboxamide?
N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopiperazine-2-carboxamide has a molecular weight of 310.77 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107434143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).