3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide

C10H17N3OS — CID 63824458

IUPAC3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide
SMILESCCNC(C)CC(=O)NCc1cscn1
InChIInChI=1S/C10H17N3OS/c1-3-11-8(2)4-10(14)12-5-9-6-15-7-13-9/h6-8,11H,3-5H2,1-2H3,(H,12,14)
InChIKeyCTRZAPYFIJCTNE-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.15
Rot. Bonds6

About 3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide

3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide (PubChem CID 63824458) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide
PubChem CID63824458
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide
SMILESCCNC(C)CC(=O)NCc1cscn1
InChIInChI=1S/C10H17N3OS/c1-3-11-8(2)4-10(14)12-5-9-6-15-7-13-9/h6-8,11H,3-5H2,1-2H3,(H,12,14)
InChIKeyCTRZAPYFIJCTNE-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
CID 49483238
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
N-ethyl-2-(1,3-thiazol-4-yl)acetamide
CID 110462780
3-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 63824817
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
3-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 78997840
N-(1,3-thiazol-4-ylmethyl)but-2-enamide
CID 78986565
4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 63831533
2-methyl-3-(methylamino)-N-(1,3-thiazol-4-ylmethyl)propanamide;dihydrochloride
CID 119868973
N-(1,3-thiazol-4-ylmethyl)prop-2-enamide
CID 63831538
tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate
CID 103389967

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide?
The IUPAC name of 3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide (CID 63824458) is 3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide?
The canonical SMILES for 3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide is CCNC(C)CC(=O)NCc1cscn1.
What is the InChIKey of 3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide?
The InChIKey is CTRZAPYFIJCTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-11-8(2)4-10(14)12-5-9-6-15-7-13-9/h6-8,11H,3-5H2,1-2H3,(H,12,14).
What are the key properties of 3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide?
3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide has a molecular weight of 227.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide is sourced from PubChem (CID 63824458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).