2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(1-phenylcyclopropyl)acetamide

C15H17N3OS — CID 82547525

IUPAC2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(1-phenylcyclopropyl)acetamide
SMILESNCc1nc(CC(=O)NC2(c3ccccc3)CC2)cs1
InChIInChI=1S/C15H17N3OS/c16-9-14-17-12(10-20-14)8-13(19)18-15(6-7-15)11-4-2-1-3-5-11/h1-5,10H,6-9,16H2,(H,18,19)
InChIKeyYRNUPZSPOXVVHK-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.95
Rot. Bonds5

About 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(1-phenylcyclopropyl)acetamide

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(1-phenylcyclopropyl)acetamide (PubChem CID 82547525) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(1-phenylcyclopropyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(1-phenylcyclopropyl)acetamide
PubChem CID82547525
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(1-phenylcyclopropyl)acetamide
SMILESNCc1nc(CC(=O)NC2(c3ccccc3)CC2)cs1
InChIInChI=1S/C15H17N3OS/c16-9-14-17-12(10-20-14)8-13(19)18-15(6-7-15)11-4-2-1-3-5-11/h1-5,10H,6-9,16H2,(H,18,19)
InChIKeyYRNUPZSPOXVVHK-UHFFFAOYSA-N
XLogP1.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-[1-(2-fluorophenyl)cyclopropyl]acetamide
CID 110450787
2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 82547773
N-(1-phenylcyclopentyl)-2-pyridin-2-ylacetamide
CID 110468250
N-(1-phenylcyclopropyl)propanamide
CID 110441332
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547725
2-(2-aminoethyl)-N-(1-phenylcyclopentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120633064
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 94256775
4-[[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoic acid
CID 110450777
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 82547737
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 94256521
4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 82547522

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(1-phenylcyclopropyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(1-phenylcyclopropyl)acetamide (CID 82547525) is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(1-phenylcyclopropyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(1-phenylcyclopropyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(1-phenylcyclopropyl)acetamide is NCc1nc(CC(=O)NC2(c3ccccc3)CC2)cs1.
What is the InChIKey of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(1-phenylcyclopropyl)acetamide?
The InChIKey is YRNUPZSPOXVVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c16-9-14-17-12(10-20-14)8-13(19)18-15(6-7-15)11-4-2-1-3-5-11/h1-5,10H,6-9,16H2,(H,18,19).
What are the key properties of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(1-phenylcyclopropyl)acetamide?
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(1-phenylcyclopropyl)acetamide has a molecular weight of 287.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(1-phenylcyclopropyl)acetamide is sourced from PubChem (CID 82547525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).