4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one

C11H18N2OS — CID 64696462

IUPAC4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
SMILESCC(=O)CC(C)N(C)Cc1csc(C)n1
InChIInChI=1S/C11H18N2OS/c1-8(5-9(2)14)13(4)6-11-7-15-10(3)12-11/h7-8H,5-6H2,1-4H3
InChIKeyFYGQKWJLBVJKMF-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.25
Rot. Bonds5

About 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one

4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one (PubChem CID 64696462) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one.

Molecular Properties

Compound Name4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
PubChem CID64696462
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
SMILESCC(=O)CC(C)N(C)Cc1csc(C)n1
InChIInChI=1S/C11H18N2OS/c1-8(5-9(2)14)13(4)6-11-7-15-10(3)12-11/h7-8H,5-6H2,1-4H3
InChIKeyFYGQKWJLBVJKMF-UHFFFAOYSA-N
XLogP2.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 104555115
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide
CID 63585043
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]butanehydrazide
CID 63585046
1-(4-ethylphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propan-1-one
CID 62051669
3-amino-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide;dihydrochloride
CID 120502763
N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
CID 76930177
2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide
CID 47455504
1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 81012833
2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
CID 55073872
1-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 62044439
2-(diethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 86855478
4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63579824

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one?
The IUPAC name of 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one (CID 64696462) is 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one.
What is the SMILES notation for 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one?
The canonical SMILES for 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one is CC(=O)CC(C)N(C)Cc1csc(C)n1.
What is the InChIKey of 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one?
The InChIKey is FYGQKWJLBVJKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(5-9(2)14)13(4)6-11-7-15-10(3)12-11/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one?
4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one has a molecular weight of 226.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one is sourced from PubChem (CID 64696462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).