2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]acetamide

C8H13N3OS — CID 43754755

IUPAC2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]acetamide
SMILESCc1ncsc1C(C)NCC(N)=O
InChIInChI=1S/C8H13N3OS/c1-5(10-3-7(9)12)8-6(2)11-4-13-8/h4-5,10H,3H2,1-2H3,(H2,9,12)
InChIKeyXPVXNBVGNISLPC-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.59
Rot. Bonds4

About 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]acetamide

2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]acetamide (PubChem CID 43754755) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]acetamide.

Molecular Properties

Compound Name2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]acetamide
PubChem CID43754755
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]acetamide
SMILESCc1ncsc1C(C)NCC(N)=O
InChIInChI=1S/C8H13N3OS/c1-5(10-3-7(9)12)8-6(2)11-4-13-8/h4-5,10H,3H2,1-2H3,(H2,9,12)
InChIKeyXPVXNBVGNISLPC-UHFFFAOYSA-N
XLogP0.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]acetamide?
The IUPAC name of 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]acetamide (CID 43754755) is 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]acetamide.
What is the SMILES notation for 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]acetamide?
The canonical SMILES for 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]acetamide is Cc1ncsc1C(C)NCC(N)=O.
What is the InChIKey of 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]acetamide?
The InChIKey is XPVXNBVGNISLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-5(10-3-7(9)12)8-6(2)11-4-13-8/h4-5,10H,3H2,1-2H3,(H2,9,12).
What are the key properties of 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]acetamide?
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]acetamide has a molecular weight of 199.28 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]acetamide is sourced from PubChem (CID 43754755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).