N-carbamoyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C9H9N5O2S2 — CID 2099545

IUPACN-carbamoyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESNC(=O)NC(=O)CSc1n[nH]c(-c2cccs2)n1
InChIInChI=1S/C9H9N5O2S2/c10-8(16)11-6(15)4-18-9-12-7(13-14-9)5-2-1-3-17-5/h1-3H,4H2,(H,12,13,14)(H3,10,11,15,16)
InChIKeyNOFXLGXPRRLVML-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.82
Rot. Bonds4

About N-carbamoyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-carbamoyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2099545) has the molecular formula C9H9N5O2S2 and a molecular weight of 283.34 g/mol. Its IUPAC name is N-carbamoyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2099545
Molecular FormulaC9H9N5O2S2
Molecular Weight283.34 g/mol
Exact Mass283.02
IUPAC NameN-carbamoyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESNC(=O)NC(=O)CSc1n[nH]c(-c2cccs2)n1
InChIInChI=1S/C9H9N5O2S2/c10-8(16)11-6(15)4-18-9-12-7(13-14-9)5-2-1-3-17-5/h1-3H,4H2,(H,12,13,14)(H3,10,11,15,16)
InChIKeyNOFXLGXPRRLVML-UHFFFAOYSA-N
XLogP0.82
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3382766
1-piperidin-1-yl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 4266104
N-(thiophen-2-ylmethyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2121322
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3498639
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3999899
1-pyrrolidin-1-yl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2113120
1-morpholin-4-yl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 3457229
1-(4-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 4035331
N-cyclopropyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6468272
N-cyclopropyl-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 6470773
1-pyrrolidin-1-yl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 16294699
3-(prop-2-enylthio)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 339578

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-carbamoyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2099545) is N-carbamoyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-carbamoyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is NC(=O)NC(=O)CSc1n[nH]c(-c2cccs2)n1.
What is the InChIKey of N-carbamoyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is NOFXLGXPRRLVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2S2/c10-8(16)11-6(15)4-18-9-12-7(13-14-9)5-2-1-3-17-5/h1-3H,4H2,(H,12,13,14)(H3,10,11,15,16).
What are the key properties of N-carbamoyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-carbamoyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 283.34 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2099545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).