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

C11H13N3OS2 — CID 62798161

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)Cc1csc(N)n1
InChIInChI=1S/C11H13N3OS2/c1-14(6-9-3-2-4-16-9)10(15)5-8-7-17-11(12)13-8/h2-4,7H,5-6H2,1H3,(H2,12,13)
InChIKeyNHYKRMLIAFAVCY-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.99
Rot. Bonds4

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

2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 62798161) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID62798161
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)Cc1csc(N)n1
InChIInChI=1S/C11H13N3OS2/c1-14(6-9-3-2-4-16-9)10(15)5-8-7-17-11(12)13-8/h2-4,7H,5-6H2,1H3,(H2,12,13)
InChIKeyNHYKRMLIAFAVCY-UHFFFAOYSA-N
XLogP1.99
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 62799940
2-(2-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 43527191
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 43026526
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484257
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540
6-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62238783
2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide
CID 55119506
N-cyclopropyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 134004488
N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
CID 62921565
N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 43383718

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 62798161) is 2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is NHYKRMLIAFAVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-14(6-9-3-2-4-16-9)10(15)5-8-7-17-11(12)13-8/h2-4,7H,5-6H2,1H3,(H2,12,13).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 267.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 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-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 62798161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).