4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide

C14H25N3OS — CID 60865573

IUPAC4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide
SMILESCc1nc(C(C)(C)C)sc1C(C)NCCCC(N)=O
InChIInChI=1S/C14H25N3OS/c1-9(16-8-6-7-11(15)18)12-10(2)17-13(19-12)14(3,4)5/h9,16H,6-8H2,1-5H3,(H2,15,18)
InChIKeyQIDFVTPPYHOIML-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.67
Rot. Bonds6

About 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide

4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide (PubChem CID 60865573) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide.

Molecular Properties

Compound Name4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide
PubChem CID60865573
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide
SMILESCc1nc(C(C)(C)C)sc1C(C)NCCCC(N)=O
InChIInChI=1S/C14H25N3OS/c1-9(16-8-6-7-11(15)18)12-10(2)17-13(19-12)14(3,4)5/h9,16H,6-8H2,1-5H3,(H2,15,18)
InChIKeyQIDFVTPPYHOIML-UHFFFAOYSA-N
XLogP2.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.67
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

3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N,N-dimethylpropanamide
CID 60926611
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 43774132
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 43763215
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
CID 61193122
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634562
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N-cyclopropylacetamide
CID 43778001
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 43756395
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115713038
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238671
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462433
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43764241
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine
CID 43769276

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide?
The IUPAC name of 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide (CID 60865573) is 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide.
What is the SMILES notation for 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide?
The canonical SMILES for 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide is Cc1nc(C(C)(C)C)sc1C(C)NCCCC(N)=O.
What is the InChIKey of 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide?
The InChIKey is QIDFVTPPYHOIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-9(16-8-6-7-11(15)18)12-10(2)17-13(19-12)14(3,4)5/h9,16H,6-8H2,1-5H3,(H2,15,18).
What are the key properties of 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide?
4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide has a molecular weight of 283.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide is sourced from PubChem (CID 60865573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).