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

C12H19N3OS — CID 56868477

IUPAC2-(methylamino)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCNCC(=O)NC(C)c1nc2c(s1)CCCC2
InChIInChI=1S/C12H19N3OS/c1-8(14-11(16)7-13-2)12-15-9-5-3-4-6-10(9)17-12/h8,13H,3-7H2,1-2H3,(H,14,16)
InChIKeyLMHVWBHSHYSIIN-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.42
Rot. Bonds4

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

2-(methylamino)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide (PubChem CID 56868477) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(methylamino)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
PubChem CID56868477
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(methylamino)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCNCC(=O)NC(C)c1nc2c(s1)CCCC2
InChIInChI=1S/C12H19N3OS/c1-8(14-11(16)7-13-2)12-15-9-5-3-4-6-10(9)17-12/h8,13H,3-7H2,1-2H3,(H,14,16)
InChIKeyLMHVWBHSHYSIIN-UHFFFAOYSA-N
XLogP1.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide (CID 56868477) is 2-(methylamino)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide is CNCC(=O)NC(C)c1nc2c(s1)CCCC2.
What is the InChIKey of 2-(methylamino)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The InChIKey is LMHVWBHSHYSIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(14-11(16)7-13-2)12-15-9-5-3-4-6-10(9)17-12/h8,13H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 2-(methylamino)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
2-(methylamino)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide has a molecular weight of 253.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 56868477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).