2-[[2-[[3-(4-methoxyphenyl)sulfanyl-6-pyridin-2-ylsulfanylpyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid;pyridine-2-carboxamide

C29H24N6O5S4 — CID 90241569

IUPAC2-[[2-[[3-(4-methoxyphenyl)sulfanyl-6-pyridin-2-ylsulfanylpyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid;pyridine-2-carboxamide
SMILESCOc1ccc(Sc2ccc(Sc3ccccn3)nc2C(=O)Nc2ncc(SCC(=O)O)s2)cc1.NC(=O)c1ccccn1
InChIInChI=1S/C23H18N4O4S4.C6H6N2O/c1-31-14-5-7-15(8-6-14)33-16-9-10-18(34-17-4-2-3-11-24-17)26-21(16)22(30)27-23-25-12-20(35-23)32-13-19(28)29;7-6(9)5-3-1-2-4-8-5/h2-12H,13H2,1H3,(H,28,29)(H,25,27,30);1-4H,(H2,7,9)
InChIKeyWIPZEYZJJNTISL-UHFFFAOYSA-N
MW664.82 g/mol
LogP5.85
Rot. Bonds11

About 2-[[2-[[3-(4-methoxyphenyl)sulfanyl-6-pyridin-2-ylsulfanylpyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid;pyridine-2-carboxamide

2-[[2-[[3-(4-methoxyphenyl)sulfanyl-6-pyridin-2-ylsulfanylpyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid;pyridine-2-carboxamide (PubChem CID 90241569) has the molecular formula C29H24N6O5S4 and a molecular weight of 664.82 g/mol. Its IUPAC name is 2-[[2-[[3-(4-methoxyphenyl)sulfanyl-6-pyridin-2-ylsulfanylpyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid;pyridine-2-carboxamide.

Molecular Properties

Compound Name2-[[2-[[3-(4-methoxyphenyl)sulfanyl-6-pyridin-2-ylsulfanylpyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid;pyridine-2-carboxamide
PubChem CID90241569
Molecular FormulaC29H24N6O5S4
Molecular Weight664.82 g/mol
Exact Mass664.07
IUPAC Name2-[[2-[[3-(4-methoxyphenyl)sulfanyl-6-pyridin-2-ylsulfanylpyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid;pyridine-2-carboxamide
SMILESCOc1ccc(Sc2ccc(Sc3ccccn3)nc2C(=O)Nc2ncc(SCC(=O)O)s2)cc1.NC(=O)c1ccccn1
InChIInChI=1S/C23H18N4O4S4.C6H6N2O/c1-31-14-5-7-15(8-6-14)33-16-9-10-18(34-17-4-2-3-11-24-17)26-21(16)22(30)27-23-25-12-20(35-23)32-13-19(28)29;7-6(9)5-3-1-2-4-8-5/h2-12H,13H2,1H3,(H,28,29)(H,25,27,30);1-4H,(H2,7,9)
InChIKeyWIPZEYZJJNTISL-UHFFFAOYSA-N
XLogP5.85
TPSA170.28 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500664.82
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-[[2-[[3-(4-methoxyphenyl)sulfanyl-6-pyridin-2-ylsulfanylpyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid;pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[3-(4-methoxyphenyl)sulfanyl-6-pyridin-2-ylsulfanylpyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid;pyridine-2-carboxamide?
The IUPAC name of 2-[[2-[[3-(4-methoxyphenyl)sulfanyl-6-pyridin-2-ylsulfanylpyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid;pyridine-2-carboxamide (CID 90241569) is 2-[[2-[[3-(4-methoxyphenyl)sulfanyl-6-pyridin-2-ylsulfanylpyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid;pyridine-2-carboxamide.
What is the SMILES notation for 2-[[2-[[3-(4-methoxyphenyl)sulfanyl-6-pyridin-2-ylsulfanylpyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid;pyridine-2-carboxamide?
The canonical SMILES for 2-[[2-[[3-(4-methoxyphenyl)sulfanyl-6-pyridin-2-ylsulfanylpyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid;pyridine-2-carboxamide is COc1ccc(Sc2ccc(Sc3ccccn3)nc2C(=O)Nc2ncc(SCC(=O)O)s2)cc1.NC(=O)c1ccccn1.
What is the InChIKey of 2-[[2-[[3-(4-methoxyphenyl)sulfanyl-6-pyridin-2-ylsulfanylpyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid;pyridine-2-carboxamide?
The InChIKey is WIPZEYZJJNTISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4S4.C6H6N2O/c1-31-14-5-7-15(8-6-14)33-16-9-10-18(34-17-4-2-3-11-24-17)26-21(16)22(30)27-23-25-12-20(35-23)32-13-19(28)29;7-6(9)5-3-1-2-4-8-5/h2-12H,13H2,1H3,(H,28,29)(H,25,27,30);1-4H,(H2,7,9).
What are the key properties of 2-[[2-[[3-(4-methoxyphenyl)sulfanyl-6-pyridin-2-ylsulfanylpyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid;pyridine-2-carboxamide?
2-[[2-[[3-(4-methoxyphenyl)sulfanyl-6-pyridin-2-ylsulfanylpyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid;pyridine-2-carboxamide has a molecular weight of 664.82 g/mol, XLogP of 5.85, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[3-(4-methoxyphenyl)sulfanyl-6-pyridin-2-ylsulfanylpyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetic acid;pyridine-2-carboxamide is sourced from PubChem (CID 90241569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).