N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide

C16H17N7OS — CID 122299077

IUPACN-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCN1CCN(c2ncc(NC(=O)c3ccc4nsnc4c3)cn2)CC1
InChIInChI=1S/C16H17N7OS/c1-22-4-6-23(7-5-22)16-17-9-12(10-18-16)19-15(24)11-2-3-13-14(8-11)21-25-20-13/h2-3,8-10H,4-7H2,1H3,(H,19,24)
InChIKeyLWZMMXBZCJPYPF-UHFFFAOYSA-N
MW355.43 g/mol
LogP1.49
Rot. Bonds3

About N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide

N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 122299077) has the molecular formula C16H17N7OS and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID122299077
Molecular FormulaC16H17N7OS
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC NameN-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCN1CCN(c2ncc(NC(=O)c3ccc4nsnc4c3)cn2)CC1
InChIInChI=1S/C16H17N7OS/c1-22-4-6-23(7-5-22)16-17-9-12(10-18-16)19-15(24)11-2-3-13-14(8-11)21-25-20-13/h2-3,8-10H,4-7H2,1H3,(H,19,24)
InChIKeyLWZMMXBZCJPYPF-UHFFFAOYSA-N
XLogP1.49
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 71790006
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1,3-benzodioxole-5-carboxamide
CID 91967957
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-methylsulfanylbenzamide
CID 122299186
2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91967930
5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide
CID 122299236
N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253945
N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide
CID 122299402
N-(4-acetamidophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 2037551
4-bromo-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]thiophene-2-carboxamide
CID 122299172
N-phenyl-2,1,3-benzothiadiazole-5-carboxamide
CID 684852
2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91967927
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide (CID 122299077) is N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide is CN1CCN(c2ncc(NC(=O)c3ccc4nsnc4c3)cn2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is LWZMMXBZCJPYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7OS/c1-22-4-6-23(7-5-22)16-17-9-12(10-18-16)19-15(24)11-2-3-13-14(8-11)21-25-20-13/h2-3,8-10H,4-7H2,1H3,(H,19,24).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 122299077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).