3-amino-6-(2-carbamoylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide

C17H15N5O2S2 — CID 145216836

IUPAC3-amino-6-(2-carbamoylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
SMILESNC(=O)c1ccccc1Sc1cnc(N)c(C(=O)NCc2cccs2)n1
InChIInChI=1S/C17H15N5O2S2/c18-15-14(17(24)21-8-10-4-3-7-25-10)22-13(9-20-15)26-12-6-2-1-5-11(12)16(19)23/h1-7,9H,8H2,(H2,18,20)(H2,19,23)(H,21,24)
InChIKeyWJUXOANQSBCHQB-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.30
Rot. Bonds6

About 3-amino-6-(2-carbamoylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide

3-amino-6-(2-carbamoylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 145216836) has the molecular formula C17H15N5O2S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-amino-6-(2-carbamoylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2-carbamoylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID145216836
Molecular FormulaC17H15N5O2S2
Molecular Weight385.47 g/mol
Exact Mass385.07
IUPAC Name3-amino-6-(2-carbamoylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
SMILESNC(=O)c1ccccc1Sc1cnc(N)c(C(=O)NCc2cccs2)n1
InChIInChI=1S/C17H15N5O2S2/c18-15-14(17(24)21-8-10-4-3-7-25-10)22-13(9-20-15)26-12-6-2-1-5-11(12)16(19)23/h1-7,9H,8H2,(H2,18,20)(H2,19,23)(H,21,24)
InChIKeyWJUXOANQSBCHQB-UHFFFAOYSA-N
XLogP2.30
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-6-(2-carbamoylphenyl)sulfanyl-N-[(5-methoxy-1H-indol-3-yl)methyl]pyrazine-2-carboxamide
CID 145216751
1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide
CID 106770448
2-amino-5-chloro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 114922128
4-amino-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62153900
2-(thiophen-2-ylmethylamino)benzamide
CID 83291253
2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 143453857
3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 3237026
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615369
N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
CID 102205335
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 10346194
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(thiophen-2-ylmethyl)benzamide
CID 36943338

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-carbamoylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(2-carbamoylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide (CID 145216836) is 3-amino-6-(2-carbamoylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2-carbamoylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2-carbamoylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide is NC(=O)c1ccccc1Sc1cnc(N)c(C(=O)NCc2cccs2)n1.
What is the InChIKey of 3-amino-6-(2-carbamoylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is WJUXOANQSBCHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S2/c18-15-14(17(24)21-8-10-4-3-7-25-10)22-13(9-20-15)26-12-6-2-1-5-11(12)16(19)23/h1-7,9H,8H2,(H2,18,20)(H2,19,23)(H,21,24).
What are the key properties of 3-amino-6-(2-carbamoylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?
3-amino-6-(2-carbamoylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-carbamoylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 145216836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).