N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide

C12H15N3OS2 — CID 63939846

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCN(Cc1ncc[nH]1)C(=O)CSCc1cccs1
InChIInChI=1S/C12H15N3OS2/c1-15(7-11-13-4-5-14-11)12(16)9-17-8-10-3-2-6-18-10/h2-6H,7-9H2,1H3,(H,13,14)
InChIKeyRGPPOZOTHANAGE-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.36
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide (PubChem CID 63939846) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
PubChem CID63939846
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCN(Cc1ncc[nH]1)C(=O)CSCc1cccs1
InChIInChI=1S/C12H15N3OS2/c1-15(7-11-13-4-5-14-11)12(16)9-17-8-10-3-2-6-18-10/h2-6H,7-9H2,1H3,(H,13,14)
InChIKeyRGPPOZOTHANAGE-UHFFFAOYSA-N
XLogP2.36
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 43239816
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 64512159
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940243
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 63939841
2-tert-butylsulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63939272
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 63929532
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 134058104
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate
CID 63939472
N-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 25342931
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 63939455
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 64519424

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide (CID 63939846) is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide is CN(Cc1ncc[nH]1)C(=O)CSCc1cccs1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The InChIKey is RGPPOZOTHANAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-15(7-11-13-4-5-14-11)12(16)9-17-8-10-3-2-6-18-10/h2-6H,7-9H2,1H3,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide has a molecular weight of 281.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 63939846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).