(2-amino-1,3-thiazol-5-yl)-phenylmethanone;ethane

C12H14N2OS — CID 91203286

IUPAC(2-amino-1,3-thiazol-5-yl)-phenylmethanone;ethane
SMILESCC.Nc1ncc(C(=O)c2ccccc2)s1
InChIInChI=1S/C10H8N2OS.C2H6/c11-10-12-6-8(14-10)9(13)7-4-2-1-3-5-7;1-2/h1-6H,(H2,11,12);1-2H3
InChIKeyLLYUITJRHZDEIW-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.98
Rot. Bonds2

About (2-amino-1,3-thiazol-5-yl)-phenylmethanone;ethane

(2-amino-1,3-thiazol-5-yl)-phenylmethanone;ethane (PubChem CID 91203286) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-5-yl)-phenylmethanone;ethane.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-5-yl)-phenylmethanone;ethane
PubChem CID91203286
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name(2-amino-1,3-thiazol-5-yl)-phenylmethanone;ethane
SMILESCC.Nc1ncc(C(=O)c2ccccc2)s1
InChIInChI=1S/C10H8N2OS.C2H6/c11-10-12-6-8(14-10)9(13)7-4-2-1-3-5-7;1-2/h1-6H,(H2,11,12);1-2H3
InChIKeyLLYUITJRHZDEIW-UHFFFAOYSA-N
XLogP2.98
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-5-yl)-phenylmethanone;ethane?
The IUPAC name of (2-amino-1,3-thiazol-5-yl)-phenylmethanone;ethane (CID 91203286) is (2-amino-1,3-thiazol-5-yl)-phenylmethanone;ethane.
What is the SMILES notation for (2-amino-1,3-thiazol-5-yl)-phenylmethanone;ethane?
The canonical SMILES for (2-amino-1,3-thiazol-5-yl)-phenylmethanone;ethane is CC.Nc1ncc(C(=O)c2ccccc2)s1.
What is the InChIKey of (2-amino-1,3-thiazol-5-yl)-phenylmethanone;ethane?
The InChIKey is LLYUITJRHZDEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS.C2H6/c11-10-12-6-8(14-10)9(13)7-4-2-1-3-5-7;1-2/h1-6H,(H2,11,12);1-2H3.
What are the key properties of (2-amino-1,3-thiazol-5-yl)-phenylmethanone;ethane?
(2-amino-1,3-thiazol-5-yl)-phenylmethanone;ethane has a molecular weight of 234.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-5-yl)-phenylmethanone;ethane is sourced from PubChem (CID 91203286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).