2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

C11H14N6O2S2 — CID 3231176

IUPAC2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CSc2n[nH]c(N)n2)c(C(N)=O)c1C
InChIInChI=1S/C11H14N6O2S2/c1-4-5(2)21-9(7(4)8(12)19)14-6(18)3-20-11-15-10(13)16-17-11/h3H2,1-2H3,(H2,12,19)(H,14,18)(H3,13,15,16,17)
InChIKeyOMWKRYALHYCCPX-UHFFFAOYSA-N
MW326.41 g/mol
LogP0.89
Rot. Bonds5

About 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 3231176) has the molecular formula C11H14N6O2S2 and a molecular weight of 326.41 g/mol. Its IUPAC name is 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID3231176
Molecular FormulaC11H14N6O2S2
Molecular Weight326.41 g/mol
Exact Mass326.06
IUPAC Name2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CSc2n[nH]c(N)n2)c(C(N)=O)c1C
InChIInChI=1S/C11H14N6O2S2/c1-4-5(2)21-9(7(4)8(12)19)14-6(18)3-20-11-15-10(13)16-17-11/h3H2,1-2H3,(H2,12,19)(H,14,18)(H3,13,15,16,17)
InChIKeyOMWKRYALHYCCPX-UHFFFAOYSA-N
XLogP0.89
TPSA139.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2999701
5,6-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 2387679
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 2390274
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 2568472
ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate
CID 2998932
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 3158336
2-[1-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 4966754
2-(2-((1H-1,2,4-triazol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 2081135
ethyl 2-(2-((5-amino-1H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate
CID 1589744
2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2514610
2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3464815
2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5227752

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 3231176) is 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)CSc2n[nH]c(N)n2)c(C(N)=O)c1C.
What is the InChIKey of 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is OMWKRYALHYCCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S2/c1-4-5(2)21-9(7(4)8(12)19)14-6(18)3-20-11-15-10(13)16-17-11/h3H2,1-2H3,(H2,12,19)(H,14,18)(H3,13,15,16,17).
What are the key properties of 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 326.41 g/mol, XLogP of 0.89, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 3231176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).