N-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide

C10H13BrN2OS — CID 66614061

IUPACN-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide
SMILESCCC(=O)NC1CCc2nc(Br)sc2C1
InChIInChI=1S/C10H13BrN2OS/c1-2-9(14)12-6-3-4-7-8(5-6)15-10(11)13-7/h6H,2-5H2,1H3,(H,12,14)
InChIKeyJTLUDNNPYXJUBR-UHFFFAOYSA-N
MW289.20 g/mol
LogP2.29
Rot. Bonds2

About N-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide

N-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide (PubChem CID 66614061) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is N-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide
PubChem CID66614061
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC NameN-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide
SMILESCCC(=O)NC1CCc2nc(Br)sc2C1
InChIInChI=1S/C10H13BrN2OS/c1-2-9(14)12-6-3-4-7-8(5-6)15-10(11)13-7/h6H,2-5H2,1H3,(H,12,14)
InChIKeyJTLUDNNPYXJUBR-UHFFFAOYSA-N
XLogP2.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of N-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide (CID 66614061) is N-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for N-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for N-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide is CCC(=O)NC1CCc2nc(Br)sc2C1.
What is the InChIKey of N-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is JTLUDNNPYXJUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c1-2-9(14)12-6-3-4-7-8(5-6)15-10(11)13-7/h6H,2-5H2,1H3,(H,12,14).
What are the key properties of N-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide?
N-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 289.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 66614061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).