N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide

C8H12N2OS — CID 63821575

IUPACN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCC(=O)N(C)Cc1scnc1C
InChIInChI=1S/C8H12N2OS/c1-6-8(12-5-9-6)4-10(3)7(2)11/h5H,4H2,1-3H3
InChIKeyAOTAYNXCUBXDCN-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.43
Rot. Bonds2

About N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 63821575) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID63821575
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCC(=O)N(C)Cc1scnc1C
InChIInChI=1S/C8H12N2OS/c1-6-8(12-5-9-6)4-10(3)7(2)11/h5H,4H2,1-3H3
InChIKeyAOTAYNXCUBXDCN-UHFFFAOYSA-N
XLogP1.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide (CID 63821575) is N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide is CC(=O)N(C)Cc1scnc1C.
What is the InChIKey of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is AOTAYNXCUBXDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6-8(12-5-9-6)4-10(3)7(2)11/h5H,4H2,1-3H3.
What are the key properties of N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide?
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 184.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 63821575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).