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

C12H21N3OS — CID 43567206

IUPAC2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(C)c1nc(C)sc1C
InChIInChI=1S/C12H21N3OS/c1-5-6-13-11(16)7-14-8(2)12-9(3)17-10(4)15-12/h8,14H,5-7H2,1-4H3,(H,13,16)
InChIKeyCIRSKLJBNBUZEH-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.94
Rot. Bonds6

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

2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-propylacetamide (PubChem CID 43567206) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-propylacetamide
PubChem CID43567206
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(C)c1nc(C)sc1C
InChIInChI=1S/C12H21N3OS/c1-5-6-13-11(16)7-14-8(2)12-9(3)17-10(4)15-12/h8,14H,5-7H2,1-4H3,(H,13,16)
InChIKeyCIRSKLJBNBUZEH-UHFFFAOYSA-N
XLogP1.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylacetamide
CID 43310810
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-ethylethanamine
CID 43200501
N-tert-butyl-3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanamide
CID 112551263
methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43139664
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 113278109
2-[1-(1,3-benzothiazol-2-yl)ethylamino]-N-propylacetamide
CID 43402097
N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 60888751
3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide
CID 113354496
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]-2,2-diethoxyethanamine
CID 79547946
2-(3-methylbutan-2-ylamino)-N-propylacetamide
CID 43086366
(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine
CID 26722635

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-propylacetamide?
The IUPAC name of 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-propylacetamide (CID 43567206) is 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-propylacetamide.
What is the SMILES notation for 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-propylacetamide?
The canonical SMILES for 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-propylacetamide is CCCNC(=O)CNC(C)c1nc(C)sc1C.
What is the InChIKey of 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-propylacetamide?
The InChIKey is CIRSKLJBNBUZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-5-6-13-11(16)7-14-8(2)12-9(3)17-10(4)15-12/h8,14H,5-7H2,1-4H3,(H,13,16).
What are the key properties of 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-propylacetamide?
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-propylacetamide has a molecular weight of 255.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-propylacetamide is sourced from PubChem (CID 43567206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).