N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-N-(thiophen-3-ylmethyl)acetamide

C16H16N4OS — CID 56705022

IUPACN-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)Cc1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H16N4OS/c1-20(10-12-7-8-22-11-12)15(21)9-14-17-16(19-18-14)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,17,18,19)
InChIKeyHSIZUVPJMIQWCX-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.73
Rot. Bonds5

About N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-N-(thiophen-3-ylmethyl)acetamide

N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 56705022) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-N-(thiophen-3-ylmethyl)acetamide
PubChem CID56705022
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)Cc1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H16N4OS/c1-20(10-12-7-8-22-11-12)15(21)9-14-17-16(19-18-14)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,17,18,19)
InChIKeyHSIZUVPJMIQWCX-UHFFFAOYSA-N
XLogP2.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18163531
N-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
CID 42852740
2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61328793
2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 110868986
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2,2-diphenylacetate
CID 9229252
3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide
CID 43528267
2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 9006502
phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate
CID 60666169
2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 8884900
3-methyl-5-[methyl(thiophen-3-ylmethyl)amino]-5-oxopentanoic acid
CID 55157709
3-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986769
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 18158318

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-N-(thiophen-3-ylmethyl)acetamide (CID 56705022) is N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)Cc1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is HSIZUVPJMIQWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-20(10-12-7-8-22-11-12)15(21)9-14-17-16(19-18-14)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,17,18,19).
What are the key properties of N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-N-(thiophen-3-ylmethyl)acetamide?
N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 312.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 56705022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).