N-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide

C18H19N5OS — CID 1085969

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCc1nc2ccc(NC(=O)N3CCN(c4ccccn4)CC3)cc2s1
InChIInChI=1S/C18H19N5OS/c1-13-20-15-6-5-14(12-16(15)25-13)21-18(24)23-10-8-22(9-11-23)17-4-2-3-7-19-17/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyOTUNYECJFRNTMW-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.35
Rot. Bonds2

About N-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide

N-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 1085969) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID1085969
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCc1nc2ccc(NC(=O)N3CCN(c4ccccn4)CC3)cc2s1
InChIInChI=1S/C18H19N5OS/c1-13-20-15-6-5-14(12-16(15)25-13)21-18(24)23-10-8-22(9-11-23)17-4-2-3-7-19-17/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyOTUNYECJFRNTMW-UHFFFAOYSA-N
XLogP3.35
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide (CID 1085969) is N-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide is Cc1nc2ccc(NC(=O)N3CCN(c4ccccn4)CC3)cc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is OTUNYECJFRNTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-13-20-15-6-5-14(12-16(15)25-13)21-18(24)23-10-8-22(9-11-23)17-4-2-3-7-19-17/h2-7,12H,8-11H2,1H3,(H,21,24).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 1085969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).