2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide

C9H14N2OS — CID 63613076

IUPAC2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
SMILESCC(C)C(=O)NC(C)c1nccs1
InChIInChI=1S/C9H14N2OS/c1-6(2)8(12)11-7(3)9-10-4-5-13-9/h4-7H,1-3H3,(H,11,12)
InChIKeyQSRBNGLUOOSESQ-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.98
Rot. Bonds3

About 2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide

2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 63613076) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID63613076
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
SMILESCC(C)C(=O)NC(C)c1nccs1
InChIInChI=1S/C9H14N2OS/c1-6(2)8(12)11-7(3)9-10-4-5-13-9/h4-7H,1-3H3,(H,11,12)
InChIKeyQSRBNGLUOOSESQ-UHFFFAOYSA-N
XLogP1.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
(2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 104903572
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463
methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate
CID 112617326
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 143210996
1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 115616432
2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 81004513
(2R)-N-[1-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 103814463
3-hydroxy-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 82828968
2,4-dihydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 113232782
1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 97312027

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide (CID 63613076) is 2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide is CC(C)C(=O)NC(C)c1nccs1.
What is the InChIKey of 2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is QSRBNGLUOOSESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6(2)8(12)11-7(3)9-10-4-5-13-9/h4-7H,1-3H3,(H,11,12).
What are the key properties of 2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide?
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 198.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 63613076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).