N-butyl-N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide

C11H19N3OS — CID 110386244

IUPACN-butyl-N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide
SMILESCCCCN(C)C(=O)Cc1csc(NC)n1
InChIInChI=1S/C11H19N3OS/c1-4-5-6-14(3)10(15)7-9-8-16-11(12-2)13-9/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyDGABEIIDDAAZCJ-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.99
Rot. Bonds6

About N-butyl-N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide

N-butyl-N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide (PubChem CID 110386244) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-butyl-N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide
PubChem CID110386244
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-butyl-N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide
SMILESCCCCN(C)C(=O)Cc1csc(NC)n1
InChIInChI=1S/C11H19N3OS/c1-4-5-6-14(3)10(15)7-9-8-16-11(12-2)13-9/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyDGABEIIDDAAZCJ-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 110386212
N-butyl-N-methyl-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342109
ethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate
CID 110719565
2-[[2-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid
CID 119346160
2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
CID 78907475
N-[4-[2-[3-(4-chlorophenoxy)propyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55896812
3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-methylamino]propanoic acid
CID 119233037
3-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]-methylamino]propanoic acid
CID 119232469
2-methyl-N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 55772290
ethyl 2-[2-[2-(dimethylamino)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78912318
methyl 2-[2-(heptanoylamino)-1,3-thiazol-4-yl]acetate
CID 43431303

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-butyl-N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide (CID 110386244) is N-butyl-N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-butyl-N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-butyl-N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide is CCCCN(C)C(=O)Cc1csc(NC)n1.
What is the InChIKey of N-butyl-N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide?
The InChIKey is DGABEIIDDAAZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-4-5-6-14(3)10(15)7-9-8-16-11(12-2)13-9/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-butyl-N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide?
N-butyl-N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 241.36 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110386244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).