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

C15H27N3OS — CID 60926611

IUPAC3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N,N-dimethylpropanamide
SMILESCc1nc(C(C)(C)C)sc1C(C)NCCC(=O)N(C)C
InChIInChI=1S/C15H27N3OS/c1-10(16-9-8-12(19)18(6)7)13-11(2)17-14(20-13)15(3,4)5/h10,16H,8-9H2,1-7H3
InChIKeyHLHCLIKPAYVZRY-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.88
Rot. Bonds5

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

3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N,N-dimethylpropanamide (PubChem CID 60926611) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N,N-dimethylpropanamide
PubChem CID60926611
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N,N-dimethylpropanamide
SMILESCc1nc(C(C)(C)C)sc1C(C)NCCC(=O)N(C)C
InChIInChI=1S/C15H27N3OS/c1-10(16-9-8-12(19)18(6)7)13-11(2)17-14(20-13)15(3,4)5/h10,16H,8-9H2,1-7H3
InChIKeyHLHCLIKPAYVZRY-UHFFFAOYSA-N
XLogP2.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide
CID 60865573
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
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N-cyclopropylacetamide
CID 43778001
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43764241
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
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-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462433
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]aniline
CID 43756145
4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol
CID 43790441

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N,N-dimethylpropanamide (CID 60926611) is 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N,N-dimethylpropanamide is Cc1nc(C(C)(C)C)sc1C(C)NCCC(=O)N(C)C.
What is the InChIKey of 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N,N-dimethylpropanamide?
The InChIKey is HLHCLIKPAYVZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-10(16-9-8-12(19)18(6)7)13-11(2)17-14(20-13)15(3,4)5/h10,16H,8-9H2,1-7H3.
What are the key properties of 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N,N-dimethylpropanamide?
3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N,N-dimethylpropanamide has a molecular weight of 297.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 60926611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).