2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide

C12H13N3OS — CID 39733641

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
SMILESNc1nc(CC(=O)NCc2ccccc2)cs1
InChIInChI=1S/C12H13N3OS/c13-12-15-10(8-17-12)6-11(16)14-7-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,13,15)(H,14,16)
InChIKeyNVRTYZOETMURBX-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.58
Rot. Bonds4

About 2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide

2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide (PubChem CID 39733641) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
PubChem CID39733641
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
SMILESNc1nc(CC(=O)NCc2ccccc2)cs1
InChIInChI=1S/C12H13N3OS/c13-12-15-10(8-17-12)6-11(16)14-7-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,13,15)(H,14,16)
InChIKeyNVRTYZOETMURBX-UHFFFAOYSA-N
XLogP1.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
CID 3561835
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110718046
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 110718049
2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81170888
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-phenylpropanoic acid
CID 62884193
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 55119886
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3-hydroxyphenyl)ethyl]acetamide
CID 110483661
2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide
CID 62987863
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 79749621
N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229017
2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 30940383

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide (CID 39733641) is 2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide is Nc1nc(CC(=O)NCc2ccccc2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide?
The InChIKey is NVRTYZOETMURBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-12-15-10(8-17-12)6-11(16)14-7-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,13,15)(H,14,16).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide has a molecular weight of 247.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide is sourced from PubChem (CID 39733641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).