3-[6-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide

C19H23N5O3S2 — CID 118469999

IUPAC3-[6-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCc1nnc(-c2cc(-c3cc(S(=O)(=O)NCC(C)(C)O)ccc3C)cnc2N)s1
InChIInChI=1S/C19H23N5O3S2/c1-11-5-6-14(29(26,27)22-10-19(3,4)25)8-15(11)13-7-16(17(20)21-9-13)18-24-23-12(2)28-18/h5-9,22,25H,10H2,1-4H3,(H2,20,21)
InChIKeyOVCMBXRXDHSOSA-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.52
Rot. Bonds6

About 3-[6-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide

3-[6-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide (PubChem CID 118469999) has the molecular formula C19H23N5O3S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 3-[6-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[6-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
PubChem CID118469999
Molecular FormulaC19H23N5O3S2
Molecular Weight433.56 g/mol
Exact Mass433.12
IUPAC Name3-[6-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCc1nnc(-c2cc(-c3cc(S(=O)(=O)NCC(C)(C)O)ccc3C)cnc2N)s1
InChIInChI=1S/C19H23N5O3S2/c1-11-5-6-14(29(26,27)22-10-19(3,4)25)8-15(11)13-7-16(17(20)21-9-13)18-24-23-12(2)28-18/h5-9,22,25H,10H2,1-4H3,(H2,20,21)
InChIKeyOVCMBXRXDHSOSA-UHFFFAOYSA-N
XLogP2.52
TPSA131.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-[6-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide (CID 118469999) is 3-[6-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[6-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[6-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide is Cc1nnc(-c2cc(-c3cc(S(=O)(=O)NCC(C)(C)O)ccc3C)cnc2N)s1.
What is the InChIKey of 3-[6-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The InChIKey is OVCMBXRXDHSOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S2/c1-11-5-6-14(29(26,27)22-10-19(3,4)25)8-15(11)13-7-16(17(20)21-9-13)18-24-23-12(2)28-18/h5-9,22,25H,10H2,1-4H3,(H2,20,21).
What are the key properties of 3-[6-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide?
3-[6-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide has a molecular weight of 433.56 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 118469999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).