2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-(2-methylpropyl)acetamide

C12H21N3OS — CID 112697710

IUPAC2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-(2-methylpropyl)acetamide
SMILESCCc1ncc(CNCC(=O)NCC(C)C)s1
InChIInChI=1S/C12H21N3OS/c1-4-12-15-7-10(17-12)6-13-8-11(16)14-5-9(2)3/h7,9,13H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyYYJMQHAMNQJGBU-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.57
Rot. Bonds7

About 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-(2-methylpropyl)acetamide

2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 112697710) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-(2-methylpropyl)acetamide
PubChem CID112697710
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-(2-methylpropyl)acetamide
SMILESCCc1ncc(CNCC(=O)NCC(C)C)s1
InChIInChI=1S/C12H21N3OS/c1-4-12-15-7-10(17-12)6-13-8-11(16)14-5-9(2)3/h7,9,13H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyYYJMQHAMNQJGBU-UHFFFAOYSA-N
XLogP1.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-(2-methylpropyl)acetamide (CID 112697710) is 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-(2-methylpropyl)acetamide is CCc1ncc(CNCC(=O)NCC(C)C)s1.
What is the InChIKey of 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is YYJMQHAMNQJGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-4-12-15-7-10(17-12)6-13-8-11(16)14-5-9(2)3/h7,9,13H,4-6,8H2,1-3H3,(H,14,16).
What are the key properties of 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-(2-methylpropyl)acetamide?
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 255.39 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 112697710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).