N-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]butanamide

C10H17N3OS — CID 122607076

IUPACN-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]butanamide
SMILESCCCC(=O)NCc1cnc(NCC)s1
InChIInChI=1S/C10H17N3OS/c1-3-5-9(14)12-6-8-7-13-10(15-8)11-4-2/h7H,3-6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyAGDSSJZTLCOPAK-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.99
Rot. Bonds6

About N-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]butanamide

N-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]butanamide (PubChem CID 122607076) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]butanamide
PubChem CID122607076
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]butanamide
SMILESCCCC(=O)NCc1cnc(NCC)s1
InChIInChI=1S/C10H17N3OS/c1-3-5-9(14)12-6-8-7-13-10(15-8)11-4-2/h7H,3-6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyAGDSSJZTLCOPAK-UHFFFAOYSA-N
XLogP1.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]butanamide?
The IUPAC name of N-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]butanamide (CID 122607076) is N-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]butanamide.
What is the SMILES notation for N-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]butanamide?
The canonical SMILES for N-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]butanamide is CCCC(=O)NCc1cnc(NCC)s1.
What is the InChIKey of N-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]butanamide?
The InChIKey is AGDSSJZTLCOPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-5-9(14)12-6-8-7-13-10(15-8)11-4-2/h7H,3-6H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]butanamide?
N-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]butanamide has a molecular weight of 227.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]butanamide is sourced from PubChem (CID 122607076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).