N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide

C15H16N4OS2 — CID 74237565

IUPACN-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide
SMILESCc1nc(C)c(CC(=O)N(C)Cc2ccc3nsnc3c2)s1
InChIInChI=1S/C15H16N4OS2/c1-9-14(21-10(2)16-9)7-15(20)19(3)8-11-4-5-12-13(6-11)18-22-17-12/h4-6H,7-8H2,1-3H3
InChIKeyRVPRNSVNRUXKPU-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.97
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide

N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide (PubChem CID 74237565) has the molecular formula C15H16N4OS2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide
PubChem CID74237565
Molecular FormulaC15H16N4OS2
Molecular Weight332.45 g/mol
Exact Mass332.08
IUPAC NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide
SMILESCc1nc(C)c(CC(=O)N(C)Cc2ccc3nsnc3c2)s1
InChIInChI=1S/C15H16N4OS2/c1-9-14(21-10(2)16-9)7-15(20)19(3)8-11-4-5-12-13(6-11)18-22-17-12/h4-6H,7-8H2,1-3H3
InChIKeyRVPRNSVNRUXKPU-UHFFFAOYSA-N
XLogP2.97
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(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-methyl-3-(2-methylpyrazol-3-yl)propanamide
CID 77087258
1-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methyl-3-[(2R)-3-methylbutan-2-yl]urea
CID 121497601
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]acetamide
CID 77086004
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121122678
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
CID 97122400
(2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-naphthalen-2-yloxypropanamide
CID 97140124
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 72925004
1-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methyl-3-(1-propylcyclopropyl)urea
CID 122568541
1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(3R)-hexan-3-yl]-1-methylurea
CID 125435542
1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-methylurea
CID 122571911

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide (CID 74237565) is N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide is Cc1nc(C)c(CC(=O)N(C)Cc2ccc3nsnc3c2)s1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide?
The InChIKey is RVPRNSVNRUXKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS2/c1-9-14(21-10(2)16-9)7-15(20)19(3)8-11-4-5-12-13(6-11)18-22-17-12/h4-6H,7-8H2,1-3H3.
What are the key properties of N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide?
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide has a molecular weight of 332.45 g/mol, XLogP of 2.97, 4 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)-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide is sourced from PubChem (CID 74237565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).