2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide

C12H14N4OS — CID 114700232

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide
SMILESCc1cnccc1CNC(=O)Cc1csc(N)n1
InChIInChI=1S/C12H14N4OS/c1-8-5-14-3-2-9(8)6-15-11(17)4-10-7-18-12(13)16-10/h2-3,5,7H,4,6H2,1H3,(H2,13,16)(H,15,17)
InChIKeyBMCGYYRVUBYVCM-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.29
Rot. Bonds4

About 2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide (PubChem CID 114700232) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide
PubChem CID114700232
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide
SMILESCc1cnccc1CNC(=O)Cc1csc(N)n1
InChIInChI=1S/C12H14N4OS/c1-8-5-14-3-2-9(8)6-15-11(17)4-10-7-18-12(13)16-10/h2-3,5,7H,4,6H2,1H3,(H2,13,16)(H,15,17)
InChIKeyBMCGYYRVUBYVCM-UHFFFAOYSA-N
XLogP1.29
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114698239
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110718046
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
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-pyridin-4-ylacetamide
CID 62795383
2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81170888
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 79749621
2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 55120126
4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700223
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 55119886
4-amino-2-(dimethylamino)-N-[(3-methyl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 114702402
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide (CID 114700232) is 2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide is Cc1cnccc1CNC(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide?
The InChIKey is BMCGYYRVUBYVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8-5-14-3-2-9(8)6-15-11(17)4-10-7-18-12(13)16-10/h2-3,5,7H,4,6H2,1H3,(H2,13,16)(H,15,17).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide has a molecular weight of 262.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 114700232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).