N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-3-(2-methylpyrazol-3-yl)propanamide

C15H17N5OS — CID 77087258

IUPACN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-3-(2-methylpyrazol-3-yl)propanamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)CCc1ccnn1C
InChIInChI=1S/C15H17N5OS/c1-19(15(21)6-4-12-7-8-16-20(12)2)10-11-3-5-13-14(9-11)18-22-17-13/h3,5,7-9H,4,6,10H2,1-2H3
InChIKeyMZKNARLGORLELO-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.02
Rot. Bonds5

About N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-3-(2-methylpyrazol-3-yl)propanamide

N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-3-(2-methylpyrazol-3-yl)propanamide (PubChem CID 77087258) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-3-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-3-(2-methylpyrazol-3-yl)propanamide
PubChem CID77087258
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-3-(2-methylpyrazol-3-yl)propanamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)CCc1ccnn1C
InChIInChI=1S/C15H17N5OS/c1-19(15(21)6-4-12-7-8-16-20(12)2)10-11-3-5-13-14(9-11)18-22-17-13/h3,5,7-9H,4,6,10H2,1-2H3
InChIKeyMZKNARLGORLELO-UHFFFAOYSA-N
XLogP2.02
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide
CID 118772635
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
CID 97122400
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide
CID 74237565
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 72925004
(2S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-ethoxy-N-methylpropanamide
CID 126423596
(2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-ethoxy-N-methylpropanamide
CID 126423595
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyltetrazolo[1,5-a]pyridine-7-carboxamide
CID 74238022
2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid
CID 120518879
1-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methyl-3-[(2R)-3-methylbutan-2-yl]urea
CID 121497601
2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19619342
3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide
CID 25366346
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 91840455

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-3-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-3-(2-methylpyrazol-3-yl)propanamide (CID 77087258) is N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-3-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-3-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-3-(2-methylpyrazol-3-yl)propanamide is CN(Cc1ccc2nsnc2c1)C(=O)CCc1ccnn1C.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-3-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is MZKNARLGORLELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-19(15(21)6-4-12-7-8-16-20(12)2)10-11-3-5-13-14(9-11)18-22-17-13/h3,5,7-9H,4,6,10H2,1-2H3.
What are the key properties of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-3-(2-methylpyrazol-3-yl)propanamide?
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-3-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 315.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-3-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 77087258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).