N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)adamantane-1-carboxamide

C20H21N3OS2 — CID 3606577

IUPACN-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)adamantane-1-carboxamide
SMILESCc1nc2ccc3nc(NC(=O)C45CC6CC(CC(C6)C4)C5)sc3c2s1
InChIInChI=1S/C20H21N3OS2/c1-10-21-14-2-3-15-17(16(14)25-10)26-19(22-15)23-18(24)20-7-11-4-12(8-20)6-13(5-11)9-20/h2-3,11-13H,4-9H2,1H3,(H,22,23,24)
InChIKeyZJRCFDQZPJLEKL-UHFFFAOYSA-N
MW383.54 g/mol
LogP5.37
Rot. Bonds2

About N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)adamantane-1-carboxamide

N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)adamantane-1-carboxamide (PubChem CID 3606577) has the molecular formula C20H21N3OS2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)adamantane-1-carboxamide
PubChem CID3606577
Molecular FormulaC20H21N3OS2
Molecular Weight383.54 g/mol
Exact Mass383.11
IUPAC NameN-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)adamantane-1-carboxamide
SMILESCc1nc2ccc3nc(NC(=O)C45CC6CC(CC(C6)C4)C5)sc3c2s1
InChIInChI=1S/C20H21N3OS2/c1-10-21-14-2-3-15-17(16(14)25-10)26-19(22-15)23-18(24)20-7-11-4-12(8-20)6-13(5-11)9-20/h2-3,11-13H,4-9H2,1H3,(H,22,23,24)
InChIKeyZJRCFDQZPJLEKL-UHFFFAOYSA-N
XLogP5.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)adamantane-1-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-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide;hydrochloride
CID 2894436
N-[6-(piperidine-1-carbonyl)-1,3-benzothiazol-2-yl]adamantane-1-carboxamide
CID 3147233
N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
CID 3530771
3-acetamido-N-(6-methyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
CID 42904431
(5S,7R)-3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)adamantane-1-carboxamide
CID 7915348
2-(adamantane-1-carbonylamino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 5116709
N-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 3107305
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 4675866
N-(4,6-dichloro-2-methylpyrimidin-5-yl)adamantane-1-carboxamide
CID 118024025
2-(1,3-benzodioxol-5-yl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide
CID 41107549
(5S,7S)-3-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
CID 98280516
3-bromo-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 42936860

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)adamantane-1-carboxamide?
The IUPAC name of N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)adamantane-1-carboxamide (CID 3606577) is N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)adamantane-1-carboxamide is Cc1nc2ccc3nc(NC(=O)C45CC6CC(CC(C6)C4)C5)sc3c2s1.
What is the InChIKey of N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)adamantane-1-carboxamide?
The InChIKey is ZJRCFDQZPJLEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS2/c1-10-21-14-2-3-15-17(16(14)25-10)26-19(22-15)23-18(24)20-7-11-4-12(8-20)6-13(5-11)9-20/h2-3,11-13H,4-9H2,1H3,(H,22,23,24).
What are the key properties of N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)adamantane-1-carboxamide?
N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)adamantane-1-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 3606577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).