N,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide

C11H19N3OS — CID 115748996

IUPACN,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCNC(=O)C(C)(C)CNCc1csc(C)n1
InChIInChI=1S/C11H19N3OS/c1-8-14-9(6-16-8)5-13-7-11(2,3)10(15)12-4/h6,13H,5,7H2,1-4H3,(H,12,15)
InChIKeyKCGKEINTDVOORX-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.31
Rot. Bonds5

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

N,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide (PubChem CID 115748996) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
PubChem CID115748996
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCNC(=O)C(C)(C)CNCc1csc(C)n1
InChIInChI=1S/C11H19N3OS/c1-8-14-9(6-16-8)5-13-7-11(2,3)10(15)12-4/h6,13H,5,7H2,1-4H3,(H,12,15)
InChIKeyKCGKEINTDVOORX-UHFFFAOYSA-N
XLogP1.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methylamino]-N,2,2-trimethylpropanamide
CID 103824393
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide
CID 103824241
2-methyl-3-(methylamino)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid
CID 114900157
2-ethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,2-diamine
CID 79814325
ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate
CID 60812256
2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 79361912
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl carbamate
CID 83211307
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43139161
6-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]pyridine-2-carboxylic acid
CID 106278506
3-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 64677704
4-[[(3-amino-2,2-dimethyl-3-oxopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 106278446
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide (CID 115748996) is N,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide is CNC(=O)C(C)(C)CNCc1csc(C)n1.
What is the InChIKey of N,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide?
The InChIKey is KCGKEINTDVOORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8-14-9(6-16-8)5-13-7-11(2,3)10(15)12-4/h6,13H,5,7H2,1-4H3,(H,12,15).
What are the key properties of N,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide?
N,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide has a molecular weight of 241.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 115748996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).