N-[2-(1,3-thiazol-4-yl)ethyl]-N-(thiophen-3-ylmethyl)butanamide

C14H18N2OS2 — CID 46396668

IUPACN-[2-(1,3-thiazol-4-yl)ethyl]-N-(thiophen-3-ylmethyl)butanamide
SMILESCCCC(=O)N(CCc1cscn1)Cc1ccsc1
InChIInChI=1S/C14H18N2OS2/c1-2-3-14(17)16(8-12-5-7-18-9-12)6-4-13-10-19-11-15-13/h5,7,9-11H,2-4,6,8H2,1H3
InChIKeyIMRBZZWCISAALZ-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.58
Rot. Bonds7

About N-[2-(1,3-thiazol-4-yl)ethyl]-N-(thiophen-3-ylmethyl)butanamide

N-[2-(1,3-thiazol-4-yl)ethyl]-N-(thiophen-3-ylmethyl)butanamide (PubChem CID 46396668) has the molecular formula C14H18N2OS2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-4-yl)ethyl]-N-(thiophen-3-ylmethyl)butanamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-4-yl)ethyl]-N-(thiophen-3-ylmethyl)butanamide
PubChem CID46396668
Molecular FormulaC14H18N2OS2
Molecular Weight294.44 g/mol
Exact Mass294.09
IUPAC NameN-[2-(1,3-thiazol-4-yl)ethyl]-N-(thiophen-3-ylmethyl)butanamide
SMILESCCCC(=O)N(CCc1cscn1)Cc1ccsc1
InChIInChI=1S/C14H18N2OS2/c1-2-3-14(17)16(8-12-5-7-18-9-12)6-4-13-10-19-11-15-13/h5,7,9-11H,2-4,6,8H2,1H3
InChIKeyIMRBZZWCISAALZ-UHFFFAOYSA-N
XLogP3.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]-N-(thiophen-3-ylmethyl)butanamide?
The IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]-N-(thiophen-3-ylmethyl)butanamide (CID 46396668) is N-[2-(1,3-thiazol-4-yl)ethyl]-N-(thiophen-3-ylmethyl)butanamide.
What is the SMILES notation for N-[2-(1,3-thiazol-4-yl)ethyl]-N-(thiophen-3-ylmethyl)butanamide?
The canonical SMILES for N-[2-(1,3-thiazol-4-yl)ethyl]-N-(thiophen-3-ylmethyl)butanamide is CCCC(=O)N(CCc1cscn1)Cc1ccsc1.
What is the InChIKey of N-[2-(1,3-thiazol-4-yl)ethyl]-N-(thiophen-3-ylmethyl)butanamide?
The InChIKey is IMRBZZWCISAALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-2-3-14(17)16(8-12-5-7-18-9-12)6-4-13-10-19-11-15-13/h5,7,9-11H,2-4,6,8H2,1H3.
What are the key properties of N-[2-(1,3-thiazol-4-yl)ethyl]-N-(thiophen-3-ylmethyl)butanamide?
N-[2-(1,3-thiazol-4-yl)ethyl]-N-(thiophen-3-ylmethyl)butanamide has a molecular weight of 294.44 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-4-yl)ethyl]-N-(thiophen-3-ylmethyl)butanamide is sourced from PubChem (CID 46396668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).