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

C11H19N3OS — CID 115731929

IUPACN,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylamino]butanamide
SMILESCC(CC(=O)N(C)C)NCCc1cscn1
InChIInChI=1S/C11H19N3OS/c1-9(6-11(15)14(2)3)12-5-4-10-7-16-8-13-10/h7-9,12H,4-6H2,1-3H3
InChIKeyNZVIDYPKNNIDNK-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.14
Rot. Bonds6

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

N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylamino]butanamide (PubChem CID 115731929) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylamino]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylamino]butanamide
PubChem CID115731929
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylamino]butanamide
SMILESCC(CC(=O)N(C)C)NCCc1cscn1
InChIInChI=1S/C11H19N3OS/c1-9(6-11(15)14(2)3)12-5-4-10-7-16-8-13-10/h7-9,12H,4-6H2,1-3H3
InChIKeyNZVIDYPKNNIDNK-UHFFFAOYSA-N
XLogP1.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[2-(1,3-thiazol-4-yl)ethylamino]butanoate
CID 124604358
3-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-one
CID 79395276
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 115731927
1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63831687
3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 63824458
5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide
CID 82688020
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 63831315
3-[2-(cyclopenten-1-yl)ethylamino]-N,N-dimethylbutanamide
CID 115895860
N,N-di(propan-2-yl)-2-(1,3-thiazol-4-yl)acetamide
CID 138544936
1-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 63830235
N,N-dimethyl-6-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxamide
CID 79829668
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylamino]butanamide?
The IUPAC name of N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylamino]butanamide (CID 115731929) is N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylamino]butanamide.
What is the SMILES notation for N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylamino]butanamide?
The canonical SMILES for N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylamino]butanamide is CC(CC(=O)N(C)C)NCCc1cscn1.
What is the InChIKey of N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylamino]butanamide?
The InChIKey is NZVIDYPKNNIDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-9(6-11(15)14(2)3)12-5-4-10-7-16-8-13-10/h7-9,12H,4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylamino]butanamide?
N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylamino]butanamide has a molecular weight of 241.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(1,3-thiazol-4-yl)ethylamino]butanamide is sourced from PubChem (CID 115731929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).