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

C12H18N2OS — CID 2931807

IUPAC2,2-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C12H18N2OS/c1-12(2,3)10(15)14-11-13-8-6-4-5-7-9(8)16-11/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyDBOKMYCVQLYXNT-UHFFFAOYSA-N
MW238.36 g/mol
LogP3.01
Rot. Bonds1

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

2,2-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (PubChem CID 2931807) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
PubChem CID2931807
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2,2-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C12H18N2OS/c1-12(2,3)10(15)14-11-13-8-6-4-5-7-9(8)16-11/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyDBOKMYCVQLYXNT-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (CID 2931807) is 2,2-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is CC(C)(C)C(=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2,2-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is DBOKMYCVQLYXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-12(2,3)10(15)14-11-13-8-6-4-5-7-9(8)16-11/h4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 2,2-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
2,2-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 238.36 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 2931807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).