N-cyclopropyl-2-[[6-(2,5-dichlorothiophen-3-yl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide

C12H10Cl2N4O2S2 — CID 135877278

IUPACN-cyclopropyl-2-[[6-(2,5-dichlorothiophen-3-yl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[nH]1)NC1CC1
InChIInChI=1S/C12H10Cl2N4O2S2/c13-7-3-6(10(14)22-7)9-11(20)16-12(18-17-9)21-4-8(19)15-5-1-2-5/h3,5H,1-2,4H2,(H,15,19)(H,16,18,20)
InChIKeyCKYPZNXRGLMZHO-UHFFFAOYSA-N
MW377.28 g/mol
LogP2.57
Rot. Bonds5

About N-cyclopropyl-2-[[6-(2,5-dichlorothiophen-3-yl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide

N-cyclopropyl-2-[[6-(2,5-dichlorothiophen-3-yl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide (PubChem CID 135877278) has the molecular formula C12H10Cl2N4O2S2 and a molecular weight of 377.28 g/mol. Its IUPAC name is N-cyclopropyl-2-[[6-(2,5-dichlorothiophen-3-yl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[6-(2,5-dichlorothiophen-3-yl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide
PubChem CID135877278
Molecular FormulaC12H10Cl2N4O2S2
Molecular Weight377.28 g/mol
Exact Mass375.96
IUPAC NameN-cyclopropyl-2-[[6-(2,5-dichlorothiophen-3-yl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[nH]1)NC1CC1
InChIInChI=1S/C12H10Cl2N4O2S2/c13-7-3-6(10(14)22-7)9-11(20)16-12(18-17-9)21-4-8(19)15-5-1-2-5/h3,5H,1-2,4H2,(H,15,19)(H,16,18,20)
InChIKeyCKYPZNXRGLMZHO-UHFFFAOYSA-N
XLogP2.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[6-(2,5-dichlorothiophen-3-yl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[[6-(2,5-dichlorothiophen-3-yl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide (CID 135877278) is N-cyclopropyl-2-[[6-(2,5-dichlorothiophen-3-yl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[6-(2,5-dichlorothiophen-3-yl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[6-(2,5-dichlorothiophen-3-yl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide is O=C(CSc1nnc(-c2cc(Cl)sc2Cl)c(=O)[nH]1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[6-(2,5-dichlorothiophen-3-yl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide?
The InChIKey is CKYPZNXRGLMZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O2S2/c13-7-3-6(10(14)22-7)9-11(20)16-12(18-17-9)21-4-8(19)15-5-1-2-5/h3,5H,1-2,4H2,(H,15,19)(H,16,18,20).
What are the key properties of N-cyclopropyl-2-[[6-(2,5-dichlorothiophen-3-yl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide?
N-cyclopropyl-2-[[6-(2,5-dichlorothiophen-3-yl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide has a molecular weight of 377.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[6-(2,5-dichlorothiophen-3-yl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 135877278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).