N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide

C17H21N5OS2 — CID 43962277

IUPACN-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1cc(C)c2nc(N(CCN(C)C)C(=O)c3snnc3C)sc2c1
InChIInChI=1S/C17H21N5OS2/c1-10-8-11(2)14-13(9-10)24-17(18-14)22(7-6-21(4)5)16(23)15-12(3)19-20-25-15/h8-9H,6-7H2,1-5H3
InChIKeyBFGOVROPLRQNJL-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.28
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide (PubChem CID 43962277) has the molecular formula C17H21N5OS2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide
PubChem CID43962277
Molecular FormulaC17H21N5OS2
Molecular Weight375.52 g/mol
Exact Mass375.12
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCc1cc(C)c2nc(N(CCN(C)C)C(=O)c3snnc3C)sc2c1
InChIInChI=1S/C17H21N5OS2/c1-10-8-11(2)14-13(9-10)24-17(18-14)22(7-6-21(4)5)16(23)15-12(3)19-20-25-15/h8-9H,6-7H2,1-5H3
InChIKeyBFGOVROPLRQNJL-UHFFFAOYSA-N
XLogP3.28
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 44927539
4-acetyl-N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44924487
N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenyl)acetamide
CID 41099732
2,5-dichloro-N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide;hydrochloride
CID 44931082
3-bromo-N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 41344409
5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 43961138
N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 8670619
N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide;hydrochloride
CID 44924539
N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
CID 43962273
5-bromo-N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 41348305
N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide;hydrochloride
CID 44894383
4-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 44928985

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide (CID 43962277) is N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide is Cc1cc(C)c2nc(N(CCN(C)C)C(=O)c3snnc3C)sc2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is BFGOVROPLRQNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS2/c1-10-8-11(2)14-13(9-10)24-17(18-14)22(7-6-21(4)5)16(23)15-12(3)19-20-25-15/h8-9H,6-7H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 43962277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).