N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide

C13H23N3OS — CID 55121500

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H23N3OS/c1-6-14-9(2)7-11(17)16-12-15-10(8-18-12)13(3,4)5/h8-9,14H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyYWKGQOUWVHZFGU-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.77
Rot. Bonds5

About N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide (PubChem CID 55121500) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide
PubChem CID55121500
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H23N3OS/c1-6-14-9(2)7-11(17)16-12-15-10(8-18-12)13(3,4)5/h8-9,14H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyYWKGQOUWVHZFGU-UHFFFAOYSA-N
XLogP2.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
6-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylhexanamide
CID 65292225
(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 78973521
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]acetamide
CID 95132477
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79287156
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(ethylsulfamoyl)-2-methylpropanamide
CID 87553974
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615669
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64555493
3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119879489
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 2644525
2-(2-aminophenyl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 8553866

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide (CID 55121500) is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide is CCNC(C)CC(=O)Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide?
The InChIKey is YWKGQOUWVHZFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-6-14-9(2)7-11(17)16-12-15-10(8-18-12)13(3,4)5/h8-9,14H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide has a molecular weight of 269.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide is sourced from PubChem (CID 55121500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).