2-(methylamino)-N-[3-methyl-1-oxo-1-(2H-1,3-thiazol-3-yl)butan-2-yl]propanamide

C12H21N3O2S — CID 141145133

IUPAC2-(methylamino)-N-[3-methyl-1-oxo-1-(2H-1,3-thiazol-3-yl)butan-2-yl]propanamide
SMILESCNC(C)C(=O)NC(C(=O)N1C=CSC1)C(C)C
InChIInChI=1S/C12H21N3O2S/c1-8(2)10(14-11(16)9(3)13-4)12(17)15-5-6-18-7-15/h5-6,8-10,13H,7H2,1-4H3,(H,14,16)
InChIKeyVDPSBIPGJBGDIF-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.74
Rot. Bonds5

About 2-(methylamino)-N-[3-methyl-1-oxo-1-(2H-1,3-thiazol-3-yl)butan-2-yl]propanamide

2-(methylamino)-N-[3-methyl-1-oxo-1-(2H-1,3-thiazol-3-yl)butan-2-yl]propanamide (PubChem CID 141145133) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(methylamino)-N-[3-methyl-1-oxo-1-(2H-1,3-thiazol-3-yl)butan-2-yl]propanamide.

Molecular Properties

Compound Name2-(methylamino)-N-[3-methyl-1-oxo-1-(2H-1,3-thiazol-3-yl)butan-2-yl]propanamide
PubChem CID141145133
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-(methylamino)-N-[3-methyl-1-oxo-1-(2H-1,3-thiazol-3-yl)butan-2-yl]propanamide
SMILESCNC(C)C(=O)NC(C(=O)N1C=CSC1)C(C)C
InChIInChI=1S/C12H21N3O2S/c1-8(2)10(14-11(16)9(3)13-4)12(17)15-5-6-18-7-15/h5-6,8-10,13H,7H2,1-4H3,(H,14,16)
InChIKeyVDPSBIPGJBGDIF-UHFFFAOYSA-N
XLogP0.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-amino-3-methyl-1-(2H-1,3-thiazol-3-yl)pentan-1-one
CID 141118334
S-methyl N-methyl-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamothioate
CID 174329322
N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 17461015
N-[(2R)-3-methylbutan-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 25980907
N-[(2S)-3-methylbutan-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 25980908
N-[(1R)-1-cyclopropylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 27884765
N-[(1S)-1-cyclopropylethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 27884766
N-[2-(tert-butylamino)-2-oxoethyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 31715854
N-(1-cyclopropylethyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 45796089
2-acetamido-3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)butanamide
CID 60383291
3-(3-methylbutanoyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 60609104
N-butan-2-yl-3-(3-methylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 60609308

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[3-methyl-1-oxo-1-(2H-1,3-thiazol-3-yl)butan-2-yl]propanamide?
The IUPAC name of 2-(methylamino)-N-[3-methyl-1-oxo-1-(2H-1,3-thiazol-3-yl)butan-2-yl]propanamide (CID 141145133) is 2-(methylamino)-N-[3-methyl-1-oxo-1-(2H-1,3-thiazol-3-yl)butan-2-yl]propanamide.
What is the SMILES notation for 2-(methylamino)-N-[3-methyl-1-oxo-1-(2H-1,3-thiazol-3-yl)butan-2-yl]propanamide?
The canonical SMILES for 2-(methylamino)-N-[3-methyl-1-oxo-1-(2H-1,3-thiazol-3-yl)butan-2-yl]propanamide is CNC(C)C(=O)NC(C(=O)N1C=CSC1)C(C)C.
What is the InChIKey of 2-(methylamino)-N-[3-methyl-1-oxo-1-(2H-1,3-thiazol-3-yl)butan-2-yl]propanamide?
The InChIKey is VDPSBIPGJBGDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-8(2)10(14-11(16)9(3)13-4)12(17)15-5-6-18-7-15/h5-6,8-10,13H,7H2,1-4H3,(H,14,16).
What are the key properties of 2-(methylamino)-N-[3-methyl-1-oxo-1-(2H-1,3-thiazol-3-yl)butan-2-yl]propanamide?
2-(methylamino)-N-[3-methyl-1-oxo-1-(2H-1,3-thiazol-3-yl)butan-2-yl]propanamide has a molecular weight of 271.39 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[3-methyl-1-oxo-1-(2H-1,3-thiazol-3-yl)butan-2-yl]propanamide is sourced from PubChem (CID 141145133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).