ethane;N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide

C10H18N2OS — CID 171523421

IUPACethane;N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCC.CCC(=O)NCc1cnc(C)s1
InChIInChI=1S/C8H12N2OS.C2H6/c1-3-8(11)10-5-7-4-9-6(2)12-7;1-2/h4H,3,5H2,1-2H3,(H,10,11);1-2H3
InChIKeyWHDAKEVICPEFJI-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.50
Rot. Bonds3

About ethane;N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide

ethane;N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 171523421) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is ethane;N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Nameethane;N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID171523421
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Nameethane;N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCC.CCC(=O)NCc1cnc(C)s1
InChIInChI=1S/C8H12N2OS.C2H6/c1-3-8(11)10-5-7-4-9-6(2)12-7;1-2/h4H,3,5H2,1-2H3,(H,10,11);1-2H3
InChIKeyWHDAKEVICPEFJI-UHFFFAOYSA-N
XLogP2.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of ethane;N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (CID 171523421) is ethane;N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for ethane;N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for ethane;N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is CC.CCC(=O)NCc1cnc(C)s1.
What is the InChIKey of ethane;N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is WHDAKEVICPEFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS.C2H6/c1-3-8(11)10-5-7-4-9-6(2)12-7;1-2/h4H,3,5H2,1-2H3,(H,10,11);1-2H3.
What are the key properties of ethane;N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
ethane;N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 214.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 171523421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).