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

C12H21N3OS — CID 64557263

IUPAC2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide
SMILESCNC(C)c1csc(NC(=O)C(C)C(C)C)n1
InChIInChI=1S/C12H21N3OS/c1-7(2)8(3)11(16)15-12-14-10(6-17-12)9(4)13-5/h6-9,13H,1-5H3,(H,14,15,16)
InChIKeyOCAQXMVTOWGZBE-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.65
Rot. Bonds5

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

2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide (PubChem CID 64557263) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide
PubChem CID64557263
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide
SMILESCNC(C)c1csc(NC(=O)C(C)C(C)C)n1
InChIInChI=1S/C12H21N3OS/c1-7(2)8(3)11(16)15-12-14-10(6-17-12)9(4)13-5/h6-9,13H,1-5H3,(H,14,15,16)
InChIKeyOCAQXMVTOWGZBE-UHFFFAOYSA-N
XLogP2.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64556868
1-tert-butyl-3-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]urea
CID 64556505
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
(2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 79013002
2-(2-methoxyphenyl)-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]acetamide
CID 64556077
N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 64557853
2,4-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 64555679
5-fluoro-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 104785736
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
2-ethyl-5-methyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 66128265
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64555493

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide (CID 64557263) is 2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide is CNC(C)c1csc(NC(=O)C(C)C(C)C)n1.
What is the InChIKey of 2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is OCAQXMVTOWGZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-7(2)8(3)11(16)15-12-14-10(6-17-12)9(4)13-5/h6-9,13H,1-5H3,(H,14,15,16).
What are the key properties of 2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide?
2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 255.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 64557263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).