1-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-one

C9H14N2OS — CID 63836790

IUPAC1-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-one
SMILESCC(=O)CN(C)Cc1scnc1C
InChIInChI=1S/C9H14N2OS/c1-7(12)4-11(3)5-9-8(2)10-6-13-9/h6H,4-5H2,1-3H3
InChIKeyHALDYJMDLYCVKN-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.47
Rot. Bonds4

About 1-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-one

1-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-one (PubChem CID 63836790) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-one.

Molecular Properties

Compound Name1-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-one
PubChem CID63836790
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-one
SMILESCC(=O)CN(C)Cc1scnc1C
InChIInChI=1S/C9H14N2OS/c1-7(12)4-11(3)5-9-8(2)10-6-13-9/h6H,4-5H2,1-3H3
InChIKeyHALDYJMDLYCVKN-UHFFFAOYSA-N
XLogP1.47
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-one?
The IUPAC name of 1-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-one (CID 63836790) is 1-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-one.
What is the SMILES notation for 1-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-one?
The canonical SMILES for 1-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-one is CC(=O)CN(C)Cc1scnc1C.
What is the InChIKey of 1-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-one?
The InChIKey is HALDYJMDLYCVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7(12)4-11(3)5-9-8(2)10-6-13-9/h6H,4-5H2,1-3H3.
What are the key properties of 1-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-one?
1-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-one has a molecular weight of 198.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-one is sourced from PubChem (CID 63836790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).