N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide

C11H19N3OS — CID 119882244

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide
SMILESCCc1nc(CNC(=O)CCCNC)cs1
InChIInChI=1S/C11H19N3OS/c1-3-11-14-9(8-16-11)7-13-10(15)5-4-6-12-2/h8,12H,3-7H2,1-2H3,(H,13,15)
InChIKeyDJBHOXBQTDSURZ-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.32
Rot. Bonds7

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

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide (PubChem CID 119882244) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide
PubChem CID119882244
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide
SMILESCCc1nc(CNC(=O)CCCNC)cs1
InChIInChI=1S/C11H19N3OS/c1-3-11-14-9(8-16-11)7-13-10(15)5-4-6-12-2/h8,12H,3-7H2,1-2H3,(H,13,15)
InChIKeyDJBHOXBQTDSURZ-UHFFFAOYSA-N
XLogP1.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-4-(methylamino)butanamide
CID 119900109
4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
CID 119897377
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119900108
4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
CID 119726944
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119878856
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 91762704
4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide
CID 81170882
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 60727164
4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381342
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 122565023
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide (CID 119882244) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide is CCc1nc(CNC(=O)CCCNC)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide?
The InChIKey is DJBHOXBQTDSURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-11-14-9(8-16-11)7-13-10(15)5-4-6-12-2/h8,12H,3-7H2,1-2H3,(H,13,15).
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide has a molecular weight of 241.36 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119882244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).