4-methyl-N-[[1-(methylamino)cyclobutyl]methyl]-1,3-thiazole-2-carboxamide

C11H17N3OS — CID 139017312

IUPAC4-methyl-N-[[1-(methylamino)cyclobutyl]methyl]-1,3-thiazole-2-carboxamide
SMILESCNC1(CNC(=O)c2nc(C)cs2)CCC1
InChIInChI=1S/C11H17N3OS/c1-8-6-16-10(14-8)9(15)13-7-11(12-2)4-3-5-11/h6,12H,3-5,7H2,1-2H3,(H,13,15)
InChIKeyPSSRPEWEYNUOIR-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.32
Rot. Bonds4

About 4-methyl-N-[[1-(methylamino)cyclobutyl]methyl]-1,3-thiazole-2-carboxamide

4-methyl-N-[[1-(methylamino)cyclobutyl]methyl]-1,3-thiazole-2-carboxamide (PubChem CID 139017312) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-methyl-N-[[1-(methylamino)cyclobutyl]methyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[1-(methylamino)cyclobutyl]methyl]-1,3-thiazole-2-carboxamide
PubChem CID139017312
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-methyl-N-[[1-(methylamino)cyclobutyl]methyl]-1,3-thiazole-2-carboxamide
SMILESCNC1(CNC(=O)c2nc(C)cs2)CCC1
InChIInChI=1S/C11H17N3OS/c1-8-6-16-10(14-8)9(15)13-7-11(12-2)4-3-5-11/h6,12H,3-5,7H2,1-2H3,(H,13,15)
InChIKeyPSSRPEWEYNUOIR-UHFFFAOYSA-N
XLogP1.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-propyl-1,3-thiazole-2-carboxamide
CID 110696075
N-benzyl-4-methyl-1,3-thiazole-2-carboxamide
CID 10399050
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 105419989
4-methyl-N-(2-methylcyclopropyl)-1,3-thiazole-2-carboxamide
CID 130611628
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 110696091
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
N-[(1R,5S)-5-(decylamino)-1-bicyclo[3.2.1]octanyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 150875545
2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 114114472
4-methyl-N-[(1S)-5-(pyrazine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]-1,3-thiazole-2-carboxamide
CID 130286407
2-[1-[(4-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]acetic acid
CID 64699603
4-methyl-N-pyridin-2-yl-1,3-thiazole-2-carboxamide
CID 110696243
N-(2,6-dimethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696181

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[1-(methylamino)cyclobutyl]methyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-methyl-N-[[1-(methylamino)cyclobutyl]methyl]-1,3-thiazole-2-carboxamide (CID 139017312) is 4-methyl-N-[[1-(methylamino)cyclobutyl]methyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[[1-(methylamino)cyclobutyl]methyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-methyl-N-[[1-(methylamino)cyclobutyl]methyl]-1,3-thiazole-2-carboxamide is CNC1(CNC(=O)c2nc(C)cs2)CCC1.
What is the InChIKey of 4-methyl-N-[[1-(methylamino)cyclobutyl]methyl]-1,3-thiazole-2-carboxamide?
The InChIKey is PSSRPEWEYNUOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-6-16-10(14-8)9(15)13-7-11(12-2)4-3-5-11/h6,12H,3-5,7H2,1-2H3,(H,13,15).
What are the key properties of 4-methyl-N-[[1-(methylamino)cyclobutyl]methyl]-1,3-thiazole-2-carboxamide?
4-methyl-N-[[1-(methylamino)cyclobutyl]methyl]-1,3-thiazole-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[1-(methylamino)cyclobutyl]methyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 139017312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).