2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide

C15H14N6O2S2 — CID 2472115

IUPAC2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
SMILESCn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1-c1ccncc1
InChIInChI=1S/C15H14N6O2S2/c1-21-13(9-2-5-17-6-3-9)19-20-15(21)25-8-11(22)18-14-10(12(16)23)4-7-24-14/h2-7H,8H2,1H3,(H2,16,23)(H,18,22)
InChIKeyBBLHPUVBBRGMRK-UHFFFAOYSA-N
MW374.45 g/mol
LogP1.77
Rot. Bonds6

About 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide

2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide (PubChem CID 2472115) has the molecular formula C15H14N6O2S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
PubChem CID2472115
Molecular FormulaC15H14N6O2S2
Molecular Weight374.45 g/mol
Exact Mass374.06
IUPAC Name2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
SMILESCn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1-c1ccncc1
InChIInChI=1S/C15H14N6O2S2/c1-21-13(9-2-5-17-6-3-9)19-20-15(21)25-8-11(22)18-14-10(12(16)23)4-7-24-14/h2-7H,8H2,1H3,(H2,16,23)(H,18,22)
InChIKeyBBLHPUVBBRGMRK-UHFFFAOYSA-N
XLogP1.77
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide (CID 2472115) is 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide is Cn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1-c1ccncc1.
What is the InChIKey of 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is BBLHPUVBBRGMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2S2/c1-21-13(9-2-5-17-6-3-9)19-20-15(21)25-8-11(22)18-14-10(12(16)23)4-7-24-14/h2-7H,8H2,1H3,(H2,16,23)(H,18,22).
What are the key properties of 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 2472115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).