N-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C9H10N4OS2 — CID 40560096

IUPACN-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)NCc1cccs1
InChIInChI=1S/C9H10N4OS2/c14-8(5-16-9-11-6-12-13-9)10-4-7-2-1-3-15-7/h1-3,6H,4-5H2,(H,10,14)(H,11,12,13)
InChIKeyPRQDCIUCSNBWKM-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.27
Rot. Bonds5

About N-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 40560096) has the molecular formula C9H10N4OS2 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID40560096
Molecular FormulaC9H10N4OS2
Molecular Weight254.34 g/mol
Exact Mass254.03
IUPAC NameN-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)NCc1cccs1
InChIInChI=1S/C9H10N4OS2/c14-8(5-16-9-11-6-12-13-9)10-4-7-2-1-3-15-7/h1-3,6H,4-5H2,(H,10,14)(H,11,12,13)
InChIKeyPRQDCIUCSNBWKM-UHFFFAOYSA-N
XLogP1.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 655634
2-(1-Propyl-1H-tetrazol-5-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 655852
2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 649442
2-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 1081025
N-[(3-methylthiophen-2-yl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 32019393
N-[(3-bromothiophen-2-yl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 53582017
N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 47043677
5-methyl-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]ethyl}thiophene-2-carboxamide
CID 77087592
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 9290140
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 9290141
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 16321693
2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 37282954

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 40560096) is N-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is PRQDCIUCSNBWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS2/c14-8(5-16-9-11-6-12-13-9)10-4-7-2-1-3-15-7/h1-3,6H,4-5H2,(H,10,14)(H,11,12,13).
What are the key properties of N-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 254.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 40560096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).