2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide

C11H19N3OS — CID 64556868

IUPAC2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCNC(C)c1csc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C11H19N3OS/c1-7(12-5)8-6-16-10(13-8)14-9(15)11(2,3)4/h6-7,12H,1-5H3,(H,13,14,15)
InChIKeyVKZSGFMVZVSTTF-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.41
Rot. Bonds3

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

2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 64556868) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide
PubChem CID64556868
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCNC(C)c1csc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C11H19N3OS/c1-7(12-5)8-6-16-10(13-8)14-9(15)11(2,3)4/h6-7,12H,1-5H3,(H,13,14,15)
InChIKeyVKZSGFMVZVSTTF-UHFFFAOYSA-N
XLogP2.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea
CID 64556505
2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide
CID 64557263
3-amino-2,2,3-trimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 65270029
5-methyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 64558252
N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 64557656
N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 64557853
5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 104785736
2,4-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 64555679
2-ethyl-5-methyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 66128265
2-(2-methoxyphenyl)-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]acetamide
CID 64556077
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64555493
tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 65142790

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide (CID 64556868) is 2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide is CNC(C)c1csc(NC(=O)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is VKZSGFMVZVSTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(12-5)8-6-16-10(13-8)14-9(15)11(2,3)4/h6-7,12H,1-5H3,(H,13,14,15).
What are the key properties of 2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide?
2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 241.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 64556868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).