N-tert-butyl-4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide

C16H21ClN4OS — CID 2746600

IUPACN-tert-butyl-4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1
InChIInChI=1S/C16H21ClN4OS/c1-16(2,3)19-14(22)20-6-8-21(9-7-20)15-18-12-5-4-11(17)10-13(12)23-15/h4-5,10H,6-9H2,1-3H3,(H,19,22)
InChIKeyPANABARNZMYIGH-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.58
Rot. Bonds1

About N-tert-butyl-4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide

N-tert-butyl-4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide (PubChem CID 2746600) has the molecular formula C16H21ClN4OS and a molecular weight of 352.89 g/mol. Its IUPAC name is N-tert-butyl-4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide
PubChem CID2746600
Molecular FormulaC16H21ClN4OS
Molecular Weight352.89 g/mol
Exact Mass352.11
IUPAC NameN-tert-butyl-4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1
InChIInChI=1S/C16H21ClN4OS/c1-16(2,3)19-14(22)20-6-8-21(9-7-20)15-18-12-5-4-11(17)10-13(12)23-15/h4-5,10H,6-9H2,1-3H3,(H,19,22)
InChIKeyPANABARNZMYIGH-UHFFFAOYSA-N
XLogP3.58
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 959639
sEH inhibitor-5
CID 162383180
N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 673490
N-(6-Chloro-benzothiazol-2-yl)-2-morpholin-4-yl-acetamide
CID 6489804
N,N'-bis(6-chloro-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 44441054
N,N'-bis(6-chloro-1,3-benzothiazol-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 44441074
1-[4-(6-Chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 2746594
6-Chloro-2-(4-(methylsulfonyl)piperazin-1-yl)benzo[d]thiazole
CID 2746598
4-(1,3-benzothiazol-2-yl)-N-butylpiperazine-1-carbothioamide
CID 3191992
1-[4-(6-Chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one
CID 7539094
6-Chloro-2-(piperidin-1-yl)benzo[d]thiazole
CID 2741379
N-(6-chloro-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 3279021

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide (CID 2746600) is N-tert-butyl-4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1.
What is the InChIKey of N-tert-butyl-4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is PANABARNZMYIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4OS/c1-16(2,3)19-14(22)20-6-8-21(9-7-20)15-18-12-5-4-11(17)10-13(12)23-15/h4-5,10H,6-9H2,1-3H3,(H,19,22).
What are the key properties of N-tert-butyl-4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide?
N-tert-butyl-4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 352.89 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 2746600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).