2-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide

C11H19N3OS — CID 94265172

IUPAC2-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide
SMILESCc1nc(CCN)sc1CC(=O)NC(C)C
InChIInChI=1S/C11H19N3OS/c1-7(2)13-10(15)6-9-8(3)14-11(16-9)4-5-12/h7H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyFVSOYWJQFPCVGB-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.02
Rot. Bonds5

About 2-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide

2-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide (PubChem CID 94265172) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide
PubChem CID94265172
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide
SMILESCc1nc(CCN)sc1CC(=O)NC(C)C
InChIInChI=1S/C11H19N3OS/c1-7(2)13-10(15)6-9-8(3)14-11(16-9)4-5-12/h7H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyFVSOYWJQFPCVGB-UHFFFAOYSA-N
XLogP1.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide
CID 82115304
2-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 62923064
2-[4-methyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 83970210
2-[5-(2-aminoethyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylacetamide
CID 97179672
2-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-propan-2-ylacetamide
CID 171049245
2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine
CID 79002022
2-[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 82054751
2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide
CID 94284257
2-(4-amino-1,3-thiazol-2-yl)-N-propan-2-ylacetamide
CID 171049213
2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 82054706
2-(4-methyl-2-pentyl-1,3-thiazol-5-yl)acetic acid
CID 82054967
2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64663104

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide (CID 94265172) is 2-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide is Cc1nc(CCN)sc1CC(=O)NC(C)C.
What is the InChIKey of 2-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide?
The InChIKey is FVSOYWJQFPCVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(2)13-10(15)6-9-8(3)14-11(16-9)4-5-12/h7H,4-6,12H2,1-3H3,(H,13,15).
What are the key properties of 2-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide?
2-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide has a molecular weight of 241.36 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 94265172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).