N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide;ethane

C8H14N2OS — CID 142027710

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)formamide;ethane
SMILESCC.Cc1nc(NC=O)sc1C
InChIInChI=1S/C6H8N2OS.C2H6/c1-4-5(2)10-6(8-4)7-3-9;1-2/h3H,1-2H3,(H,7,8,9);1-2H3
InChIKeyGDIPVOPWPLTCIR-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.35
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide;ethane

N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide;ethane (PubChem CID 142027710) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide;ethane.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)formamide;ethane
PubChem CID142027710
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)formamide;ethane
SMILESCC.Cc1nc(NC=O)sc1C
InChIInChI=1S/C6H8N2OS.C2H6/c1-4-5(2)10-6(8-4)7-3-9;1-2/h3H,1-2H3,(H,7,8,9);1-2H3
InChIKeyGDIPVOPWPLTCIR-UHFFFAOYSA-N
XLogP2.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide;ethane?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide;ethane (CID 142027710) is N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide;ethane.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide;ethane?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide;ethane is CC.Cc1nc(NC=O)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide;ethane?
The InChIKey is GDIPVOPWPLTCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS.C2H6/c1-4-5(2)10-6(8-4)7-3-9;1-2/h3H,1-2H3,(H,7,8,9);1-2H3.
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide;ethane?
N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide;ethane has a molecular weight of 186.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide;ethane is sourced from PubChem (CID 142027710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).