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

C10H14N2OS — CID 2849734

IUPACN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C10H14N2OS/c1-2-9(13)12-10-11-7-5-3-4-6-8(7)14-10/h2-6H2,1H3,(H,11,12,13)
InChIKeyLDGQOXHQWNHBOO-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.37
Rot. Bonds2

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

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (PubChem CID 2849734) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
PubChem CID2849734
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C10H14N2OS/c1-2-9(13)12-10-11-7-5-3-4-6-8(7)14-10/h2-6H2,1H3,(H,11,12,13)
InChIKeyLDGQOXHQWNHBOO-UHFFFAOYSA-N
XLogP2.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.37
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)propanamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (CID 2849734) is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is CCC(=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is LDGQOXHQWNHBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-2-9(13)12-10-11-7-5-3-4-6-8(7)14-10/h2-6H2,1H3,(H,11,12,13).
What are the key properties of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 210.30 g/mol, XLogP of 2.37, 2 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)propanamide is sourced from PubChem (CID 2849734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).