2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide

C9H10N4O2S — CID 81170888

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESNc1nc(CC(=O)NCc2ccon2)cs1
InChIInChI=1S/C9H10N4O2S/c10-9-12-7(5-16-9)3-8(14)11-4-6-1-2-15-13-6/h1-2,5H,3-4H2,(H2,10,12)(H,11,14)
InChIKeyCGOVBOLTEAGOCW-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.57
Rot. Bonds4

About 2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide (PubChem CID 81170888) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
PubChem CID81170888
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESNc1nc(CC(=O)NCc2ccon2)cs1
InChIInChI=1S/C9H10N4O2S/c10-9-12-7(5-16-9)3-8(14)11-4-6-1-2-15-13-6/h1-2,5H,3-4H2,(H2,10,12)(H,11,14)
InChIKeyCGOVBOLTEAGOCW-UHFFFAOYSA-N
XLogP0.57
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 55120126
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 55119881
2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114700232
2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
CID 62797982
2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62795554
4-amino-N-(1,2-oxazol-3-ylmethyl)pyridine-2-carboxamide
CID 81174448
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 110718049
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110718046
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
CID 3561835
(2S)-2-amino-3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 87289710

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide (CID 81170888) is 2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide is Nc1nc(CC(=O)NCc2ccon2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide?
The InChIKey is CGOVBOLTEAGOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c10-9-12-7(5-16-9)3-8(14)11-4-6-1-2-15-13-6/h1-2,5H,3-4H2,(H2,10,12)(H,11,14).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide has a molecular weight of 238.27 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide is sourced from PubChem (CID 81170888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).