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

C9H12N2OS — CID 3706069

IUPACN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C9H12N2OS/c1-6(12)10-9-11-7-4-2-3-5-8(7)13-9/h2-5H2,1H3,(H,10,11,12)
InChIKeyGHHGPCCCMHZHTL-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.98
Rot. Bonds1

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

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 3706069) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID3706069
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C9H12N2OS/c1-6(12)10-9-11-7-4-2-3-5-8(7)13-9/h2-5H2,1H3,(H,10,11,12)
InChIKeyGHHGPCCCMHZHTL-UHFFFAOYSA-N
XLogP1.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 3706069) is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is CC(=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is GHHGPCCCMHZHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6(12)10-9-11-7-4-2-3-5-8(7)13-9/h2-5H2,1H3,(H,10,11,12).
What are the key properties of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 196.27 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 3706069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).