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

C14H25N3OS — CID 112551263

IUPACN-tert-butyl-3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanamide
SMILESCc1nc(C(C)NCCC(=O)NC(C)(C)C)c(C)s1
InChIInChI=1S/C14H25N3OS/c1-9(13-10(2)19-11(3)16-13)15-8-7-12(18)17-14(4,5)6/h9,15H,7-8H2,1-6H3,(H,17,18)
InChIKeyIOQSAXGGDCMVAN-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.72
Rot. Bonds5

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

N-tert-butyl-3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanamide (PubChem CID 112551263) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-tert-butyl-3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanamide
PubChem CID112551263
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-tert-butyl-3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanamide
SMILESCc1nc(C(C)NCCC(=O)NC(C)(C)C)c(C)s1
InChIInChI=1S/C14H25N3OS/c1-9(13-10(2)19-11(3)16-13)15-8-7-12(18)17-14(4,5)6/h9,15H,7-8H2,1-6H3,(H,17,18)
InChIKeyIOQSAXGGDCMVAN-UHFFFAOYSA-N
XLogP2.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43139664
3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide
CID 113354496
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-propylacetamide
CID 43567206
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-ethylethanamine
CID 43200501
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylacetamide
CID 43310810
tert-butyl N-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propyl]-N-methylcarbamate
CID 103830765
N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 60888751
N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide
CID 112688580
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902867
N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide
CID 112688583
N-(cyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43200773
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635360

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanamide (CID 112551263) is N-tert-butyl-3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanamide is Cc1nc(C(C)NCCC(=O)NC(C)(C)C)c(C)s1.
What is the InChIKey of N-tert-butyl-3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanamide?
The InChIKey is IOQSAXGGDCMVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-9(13-10(2)19-11(3)16-13)15-8-7-12(18)17-14(4,5)6/h9,15H,7-8H2,1-6H3,(H,17,18).
What are the key properties of N-tert-butyl-3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanamide?
N-tert-butyl-3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanamide has a molecular weight of 283.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanamide is sourced from PubChem (CID 112551263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).