N-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide

C8H12N2OS — CID 110715644

IUPACN-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESCCC(=O)N(C)Cc1nccs1
InChIInChI=1S/C8H12N2OS/c1-3-8(11)10(2)6-7-9-4-5-12-7/h4-5H,3,6H2,1-2H3
InChIKeyQQDLMHAKTPGQPP-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.51
Rot. Bonds3

About N-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide

N-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide (PubChem CID 110715644) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
PubChem CID110715644
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESCCC(=O)N(C)Cc1nccs1
InChIInChI=1S/C8H12N2OS/c1-3-8(11)10(2)6-7-9-4-5-12-7/h4-5H,3,6H2,1-2H3
InChIKeyQQDLMHAKTPGQPP-UHFFFAOYSA-N
XLogP1.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The IUPAC name of N-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide (CID 110715644) is N-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The canonical SMILES for N-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide is CCC(=O)N(C)Cc1nccs1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The InChIKey is QQDLMHAKTPGQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-8(11)10(2)6-7-9-4-5-12-7/h4-5H,3,6H2,1-2H3.
What are the key properties of N-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
N-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide has a molecular weight of 184.26 g/mol, XLogP of 1.51, 3 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-2-ylmethyl)propanamide is sourced from PubChem (CID 110715644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).