1-hydroxy-5-(methanesulfonamido)-N,N-dimethyl-4-[(6-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-yl)diazenyl]naphthalene-2-carboxamide

C20H19N7O4S2 — CID 135982476

IUPAC1-hydroxy-5-(methanesulfonamido)-N,N-dimethyl-4-[(6-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-yl)diazenyl]naphthalene-2-carboxamide
SMILESCc1ncc2c(/N=N/c3cc(C(=O)N(C)C)c(O)c4cccc(NS(C)(=O)=O)c34)snc2n1
InChIInChI=1S/C20H19N7O4S2/c1-10-21-9-13-18(22-10)25-32-19(13)24-23-15-8-12(20(29)27(2)3)17(28)11-6-5-7-14(16(11)15)26-33(4,30)31/h5-9,26,28H,1-4H3/b24-23+
InChIKeyIRSAPRASYNZLKB-WCWDXBQESA-N
MW485.55 g/mol
LogP3.74
Rot. Bonds5

About 1-hydroxy-5-(methanesulfonamido)-N,N-dimethyl-4-[(6-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-yl)diazenyl]naphthalene-2-carboxamide

1-hydroxy-5-(methanesulfonamido)-N,N-dimethyl-4-[(6-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-yl)diazenyl]naphthalene-2-carboxamide (PubChem CID 135982476) has the molecular formula C20H19N7O4S2 and a molecular weight of 485.55 g/mol. Its IUPAC name is 1-hydroxy-5-(methanesulfonamido)-N,N-dimethyl-4-[(6-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-yl)diazenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-5-(methanesulfonamido)-N,N-dimethyl-4-[(6-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-yl)diazenyl]naphthalene-2-carboxamide
PubChem CID135982476
Molecular FormulaC20H19N7O4S2
Molecular Weight485.55 g/mol
Exact Mass485.09
IUPAC Name1-hydroxy-5-(methanesulfonamido)-N,N-dimethyl-4-[(6-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-yl)diazenyl]naphthalene-2-carboxamide
SMILESCc1ncc2c(/N=N/c3cc(C(=O)N(C)C)c(O)c4cccc(NS(C)(=O)=O)c34)snc2n1
InChIInChI=1S/C20H19N7O4S2/c1-10-21-9-13-18(22-10)25-32-19(13)24-23-15-8-12(20(29)27(2)3)17(28)11-6-5-7-14(16(11)15)26-33(4,30)31/h5-9,26,28H,1-4H3/b24-23+
InChIKeyIRSAPRASYNZLKB-WCWDXBQESA-N
XLogP3.74
TPSA150.10 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-(methanesulfonamido)-N,N-dimethyl-4-[(6-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-yl)diazenyl]naphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-5-(methanesulfonamido)-N,N-dimethyl-4-[(6-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-yl)diazenyl]naphthalene-2-carboxamide (CID 135982476) is 1-hydroxy-5-(methanesulfonamido)-N,N-dimethyl-4-[(6-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-yl)diazenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-5-(methanesulfonamido)-N,N-dimethyl-4-[(6-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-yl)diazenyl]naphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-5-(methanesulfonamido)-N,N-dimethyl-4-[(6-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-yl)diazenyl]naphthalene-2-carboxamide is Cc1ncc2c(/N=N/c3cc(C(=O)N(C)C)c(O)c4cccc(NS(C)(=O)=O)c34)snc2n1.
What is the InChIKey of 1-hydroxy-5-(methanesulfonamido)-N,N-dimethyl-4-[(6-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-yl)diazenyl]naphthalene-2-carboxamide?
The InChIKey is IRSAPRASYNZLKB-WCWDXBQESA-N. The full InChI is InChI=1S/C20H19N7O4S2/c1-10-21-9-13-18(22-10)25-32-19(13)24-23-15-8-12(20(29)27(2)3)17(28)11-6-5-7-14(16(11)15)26-33(4,30)31/h5-9,26,28H,1-4H3/b24-23+.
What are the key properties of 1-hydroxy-5-(methanesulfonamido)-N,N-dimethyl-4-[(6-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-yl)diazenyl]naphthalene-2-carboxamide?
1-hydroxy-5-(methanesulfonamido)-N,N-dimethyl-4-[(6-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-yl)diazenyl]naphthalene-2-carboxamide has a molecular weight of 485.55 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-(methanesulfonamido)-N,N-dimethyl-4-[(6-methyl-[1,2]thiazolo[3,4-d]pyrimidin-3-yl)diazenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 135982476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).