N-(1,3-benzothiazol-5-yl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide

C18H20N6OS — CID 118767759

IUPACN-(1,3-benzothiazol-5-yl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide
SMILESCc1cnc(C)c(N2CCN(C(=O)Nc3ccc4scnc4c3)CC2)n1
InChIInChI=1S/C18H20N6OS/c1-12-10-19-13(2)17(21-12)23-5-7-24(8-6-23)18(25)22-14-3-4-16-15(9-14)20-11-26-16/h3-4,9-11H,5-8H2,1-2H3,(H,22,25)
InChIKeyBWMLHJQGHJTWFC-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.06
Rot. Bonds2

About N-(1,3-benzothiazol-5-yl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide

N-(1,3-benzothiazol-5-yl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide (PubChem CID 118767759) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide
PubChem CID118767759
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC NameN-(1,3-benzothiazol-5-yl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide
SMILESCc1cnc(C)c(N2CCN(C(=O)Nc3ccc4scnc4c3)CC2)n1
InChIInChI=1S/C18H20N6OS/c1-12-10-19-13(2)17(21-12)23-5-7-24(8-6-23)18(25)22-14-3-4-16-15(9-14)20-11-26-16/h3-4,9-11H,5-8H2,1-2H3,(H,22,25)
InChIKeyBWMLHJQGHJTWFC-UHFFFAOYSA-N
XLogP3.06
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-5-yl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99830066
N-(1,3-benzothiazol-5-yl)-4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carboxamide
CID 133115452
1-(1,3-benzothiazol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122078635
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide
CID 71572886
(3S)-N-(1,3-benzothiazol-5-yl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 125131303
N-(2-cyclopropylphenyl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide
CID 118792595
N-(1,3-benzothiazol-6-yl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99592169
4-(3,6-dimethylpyrazin-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperazine-1-carboxamide
CID 72941426
N-[3-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]phenyl]-2-methylbutanamide
CID 131890649
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
N-(1,3-benzothiazol-5-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 131889264
N-(3,4-dichlorophenyl)-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 2808491

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide (CID 118767759) is N-(1,3-benzothiazol-5-yl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide is Cc1cnc(C)c(N2CCN(C(=O)Nc3ccc4scnc4c3)CC2)n1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide?
The InChIKey is BWMLHJQGHJTWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-12-10-19-13(2)17(21-12)23-5-7-24(8-6-23)18(25)22-14-3-4-16-15(9-14)20-11-26-16/h3-4,9-11H,5-8H2,1-2H3,(H,22,25).
What are the key properties of N-(1,3-benzothiazol-5-yl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide?
N-(1,3-benzothiazol-5-yl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 118767759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).