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

C13H23N3OS — CID 51078859

IUPAC2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CC(=O)N(C)C)Cc1csc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3OS/c1-13(2,3)12-14-10(9-18-12)7-16(6)8-11(17)15(4)5/h9H,7-8H2,1-6H3
InChIKeyRGMYPYUWQHHHBA-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.96
Rot. Bonds4

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

2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide (PubChem CID 51078859) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
PubChem CID51078859
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
SMILESCN(CC(=O)N(C)C)Cc1csc(C(C)(C)C)n1
InChIInChI=1S/C13H23N3OS/c1-13(2,3)12-14-10(9-18-12)7-16(6)8-11(17)15(4)5/h9H,7-8H2,1-6H3
InChIKeyRGMYPYUWQHHHBA-UHFFFAOYSA-N
XLogP1.96
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 32049043
2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-propylacetamide
CID 36936730
2-[(2-Ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
CID 47053575
N-cyclopropyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-N-methylacetamide
CID 48110218
methyl N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate
CID 51095277
2-[(2-Ethyl-1,3-thiazol-4-yl)methyl-propan-2-ylamino]acetamide
CID 53515031
2-[Propan-2-yl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 53518958
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 53521435
2-[(2-Tert-butyl-1,3-thiazol-4-yl)methyl-propan-2-ylamino]acetamide
CID 53521712
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 53525495
1-[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-methylsulfanylpropan-1-one
CID 53624116
1-[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-3,3,3-trifluoropropan-1-one
CID 53625624

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide (CID 51078859) is 2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide is CN(CC(=O)N(C)C)Cc1csc(C(C)(C)C)n1.
What is the InChIKey of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is RGMYPYUWQHHHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-13(2,3)12-14-10(9-18-12)7-16(6)8-11(17)15(4)5/h9H,7-8H2,1-6H3.
What are the key properties of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide?
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 269.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 51078859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).