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

C7H11N3OS — CID 61284856

IUPAC3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESNCCC(=O)NCc1nccs1
InChIInChI=1S/C7H11N3OS/c8-2-1-6(11)10-5-7-9-3-4-12-7/h3-4H,1-2,5,8H2,(H,10,11)
InChIKeyKBETZXVDAIQVIV-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.11
Rot. Bonds4

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

3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide (PubChem CID 61284856) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide
PubChem CID61284856
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESNCCC(=O)NCc1nccs1
InChIInChI=1S/C7H11N3OS/c8-2-1-6(11)10-5-7-9-3-4-12-7/h3-4H,1-2,5,8H2,(H,10,11)
InChIKeyKBETZXVDAIQVIV-UHFFFAOYSA-N
XLogP0.11
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110922
N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 67124836
2-amino-N-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]acetamide
CID 61284260
3-(2-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 61283637
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
2-(4-hydroxyphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110463122
1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 23548411
2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110738852
2-(3-aminophenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 61283448
N-methyl-N'-(1,3-thiazol-2-ylmethyl)oxamide
CID 130634316
3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 62878373

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide?
The IUPAC name of 3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide (CID 61284856) is 3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide?
The canonical SMILES for 3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide is NCCC(=O)NCc1nccs1.
What is the InChIKey of 3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide?
The InChIKey is KBETZXVDAIQVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c8-2-1-6(11)10-5-7-9-3-4-12-7/h3-4H,1-2,5,8H2,(H,10,11).
What are the key properties of 3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide?
3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide has a molecular weight of 185.25 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide is sourced from PubChem (CID 61284856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).