N,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide

C11H19N3OS — CID 115747429

IUPACN,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide
SMILESCNC(=O)C(NCc1cnc(C)s1)C(C)C
InChIInChI=1S/C11H19N3OS/c1-7(2)10(11(15)12-4)14-6-9-5-13-8(3)16-9/h5,7,10,14H,6H2,1-4H3,(H,12,15)
InChIKeyXEQBEVQRXQMFAL-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.31
Rot. Bonds5

About N,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide

N,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide (PubChem CID 115747429) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide.

Molecular Properties

Compound NameN,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide
PubChem CID115747429
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide
SMILESCNC(=O)C(NCc1cnc(C)s1)C(C)C
InChIInChI=1S/C11H19N3OS/c1-7(2)10(11(15)12-4)14-6-9-5-13-8(3)16-9/h5,7,10,14H,6H2,1-4H3,(H,12,15)
InChIKeyXEQBEVQRXQMFAL-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

methyl 3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 60941784
methyl (2R,3S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 99834931
2-amino-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide;dihydrochloride
CID 119861837
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115587199
2-amino-3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 76897490
propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 116654769
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 79023293
methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 115353240
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
ethyl 3,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]butanoate
CID 116537892
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid
CID 103243285
1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 60941890

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide?
The IUPAC name of N,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide (CID 115747429) is N,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide.
What is the SMILES notation for N,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide?
The canonical SMILES for N,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide is CNC(=O)C(NCc1cnc(C)s1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide?
The InChIKey is XEQBEVQRXQMFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(2)10(11(15)12-4)14-6-9-5-13-8(3)16-9/h5,7,10,14H,6H2,1-4H3,(H,12,15).
What are the key properties of N,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide?
N,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide 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,3-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanamide is sourced from PubChem (CID 115747429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).