N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide

C18H15N3OS2 — CID 90337328

IUPACN,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
SMILESCc1cccc(C(=O)N(C)c2nc3ccc4sc(C)nc4c3s2)c1
InChIInChI=1S/C18H15N3OS2/c1-10-5-4-6-12(9-10)17(22)21(3)18-20-13-7-8-14-15(16(13)24-18)19-11(2)23-14/h4-9H,1-3H3
InChIKeyKCKCDHWYHKKQCF-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.80
Rot. Bonds2

About N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide

N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide (PubChem CID 90337328) has the molecular formula C18H15N3OS2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
PubChem CID90337328
Molecular FormulaC18H15N3OS2
Molecular Weight353.47 g/mol
Exact Mass353.07
IUPAC NameN,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
SMILESCc1cccc(C(=O)N(C)c2nc3ccc4sc(C)nc4c3s2)c1
InChIInChI=1S/C18H15N3OS2/c1-10-5-4-6-12(9-10)17(22)21(3)18-20-13-7-8-14-15(16(13)24-18)19-11(2)23-14/h4-9H,1-3H3
InChIKeyKCKCDHWYHKKQCF-UHFFFAOYSA-N
XLogP4.80
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea
CID 71549283
N-[3-(dimethylamino)propyl]-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16798992
N-(3-bromophenyl)-7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2-carboxamide
CID 86263639
N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide
CID 121082936
N-[2-(dimethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 7507970
1-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-(naphthalen-1-ylmethyl)urea
CID 121080536
4-fluoro-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
CID 3426312
N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 7507317
N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide;hydrochloride
CID 44932223
(E)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
CID 6156088
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 30713046
3-bromo-N-methyl-N-[C-methyl-N-(2-methyl-4-sulfanyl-1,3-benzothiazol-5-yl)carbonimidoyl]benzamide
CID 123640349

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide?
The IUPAC name of N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide (CID 90337328) is N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide.
What is the SMILES notation for N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide?
The canonical SMILES for N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide is Cc1cccc(C(=O)N(C)c2nc3ccc4sc(C)nc4c3s2)c1.
What is the InChIKey of N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide?
The InChIKey is KCKCDHWYHKKQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS2/c1-10-5-4-6-12(9-10)17(22)21(3)18-20-13-7-8-14-15(16(13)24-18)19-11(2)23-14/h4-9H,1-3H3.
What are the key properties of N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide?
N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide has a molecular weight of 353.47 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide is sourced from PubChem (CID 90337328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).