N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

C18H15N3O2S2 — CID 7105761

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCc1ccc2nc(NC(=O)CCn3c(=O)sc4ccccc43)sc2c1
InChIInChI=1S/C18H15N3O2S2/c1-11-6-7-12-15(10-11)24-17(19-12)20-16(22)8-9-21-13-4-2-3-5-14(13)25-18(21)23/h2-7,10H,8-9H2,1H3,(H,19,20,22)
InChIKeyQVXWZHSUCHELPF-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.01
Rot. Bonds4

About N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (PubChem CID 7105761) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
PubChem CID7105761
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCc1ccc2nc(NC(=O)CCn3c(=O)sc4ccccc43)sc2c1
InChIInChI=1S/C18H15N3O2S2/c1-11-6-7-12-15(10-11)24-17(19-12)20-16(22)8-9-21-13-4-2-3-5-14(13)25-18(21)23/h2-7,10H,8-9H2,1H3,(H,19,20,22)
InChIKeyQVXWZHSUCHELPF-UHFFFAOYSA-N
XLogP4.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (CID 7105761) is N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is Cc1ccc2nc(NC(=O)CCn3c(=O)sc4ccccc43)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The InChIKey is QVXWZHSUCHELPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c1-11-6-7-12-15(10-11)24-17(19-12)20-16(22)8-9-21-13-4-2-3-5-14(13)25-18(21)23/h2-7,10H,8-9H2,1H3,(H,19,20,22).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide has a molecular weight of 369.47 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is sourced from PubChem (CID 7105761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).