N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide

C9H15Br2N3OS — CID 87704338

IUPACN-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide
SMILESBr.Br.CC(=O)NC1CCc2nc(N)sc2C1
InChIInChI=1S/C9H13N3OS.2BrH/c1-5(13)11-6-2-3-7-8(4-6)14-9(10)12-7;;/h6H,2-4H2,1H3,(H2,10,12)(H,11,13);2*1H
InChIKeyMSMGDVQGSDAMKR-UHFFFAOYSA-N
MW373.11 g/mol
LogP1.87
Rot. Bonds1

About N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide

N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide (PubChem CID 87704338) has the molecular formula C9H15Br2N3OS and a molecular weight of 373.11 g/mol. Its IUPAC name is N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide.

Molecular Properties

Compound NameN-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide
PubChem CID87704338
Molecular FormulaC9H15Br2N3OS
Molecular Weight373.11 g/mol
Exact Mass370.93
IUPAC NameN-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide
SMILESBr.Br.CC(=O)NC1CCc2nc(N)sc2C1
InChIInChI=1S/C9H13N3OS.2BrH/c1-5(13)11-6-2-3-7-8(4-6)14-9(10)12-7;;/h6H,2-4H2,1H3,(H2,10,12)(H,11,13);2*1H
InChIKeyMSMGDVQGSDAMKR-UHFFFAOYSA-N
XLogP1.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.11
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide?
The IUPAC name of N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide (CID 87704338) is N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide.
What is the SMILES notation for N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide?
The canonical SMILES for N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide is Br.Br.CC(=O)NC1CCc2nc(N)sc2C1.
What is the InChIKey of N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide?
The InChIKey is MSMGDVQGSDAMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS.2BrH/c1-5(13)11-6-2-3-7-8(4-6)14-9(10)12-7;;/h6H,2-4H2,1H3,(H2,10,12)(H,11,13);2*1H.
What are the key properties of N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide?
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide has a molecular weight of 373.11 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide is sourced from PubChem (CID 87704338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).