N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide

C7H10N2OS — CID 58166076

IUPACN-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
SMILESCC(=O)N(C)Cc1cscn1
InChIInChI=1S/C7H10N2OS/c1-6(10)9(2)3-7-4-11-5-8-7/h4-5H,3H2,1-2H3
InChIKeySQHLUIDYHDJTPG-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.12
Rot. Bonds2

About N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide

N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide (PubChem CID 58166076) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
PubChem CID58166076
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC NameN-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
SMILESCC(=O)N(C)Cc1cscn1
InChIInChI=1S/C7H10N2OS/c1-6(10)9(2)3-7-4-11-5-8-7/h4-5H,3H2,1-2H3
InChIKeySQHLUIDYHDJTPG-UHFFFAOYSA-N
XLogP1.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide?
The IUPAC name of N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide (CID 58166076) is N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide?
The canonical SMILES for N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide is CC(=O)N(C)Cc1cscn1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide?
The InChIKey is SQHLUIDYHDJTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-6(10)9(2)3-7-4-11-5-8-7/h4-5H,3H2,1-2H3.
What are the key properties of N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide?
N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide has a molecular weight of 170.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide is sourced from PubChem (CID 58166076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).