4-[[4-(benzenesulfonyl)-6-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol

C23H26N4O4S2 — CID 118641961

IUPAC4-[[4-(benzenesulfonyl)-6-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol
SMILESO=S(=O)(c1ccccc1)c1cc(Nc2nc3c(s2)COCC3)nc(NC2CCC(O)CC2)c1
InChIInChI=1S/C23H26N4O4S2/c28-16-8-6-15(7-9-16)24-21-12-18(33(29,30)17-4-2-1-3-5-17)13-22(26-21)27-23-25-19-10-11-31-14-20(19)32-23/h1-5,12-13,15-16,28H,6-11,14H2,(H2,24,25,26,27)
InChIKeySCMPHSKHGCIPQV-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.90
Rot. Bonds6

About 4-[[4-(benzenesulfonyl)-6-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol

4-[[4-(benzenesulfonyl)-6-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 118641961) has the molecular formula C23H26N4O4S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 4-[[4-(benzenesulfonyl)-6-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(benzenesulfonyl)-6-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol
PubChem CID118641961
Molecular FormulaC23H26N4O4S2
Molecular Weight486.62 g/mol
Exact Mass486.14
IUPAC Name4-[[4-(benzenesulfonyl)-6-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol
SMILESO=S(=O)(c1ccccc1)c1cc(Nc2nc3c(s2)COCC3)nc(NC2CCC(O)CC2)c1
InChIInChI=1S/C23H26N4O4S2/c28-16-8-6-15(7-9-16)24-21-12-18(33(29,30)17-4-2-1-3-5-17)13-22(26-21)27-23-25-19-10-11-31-14-20(19)32-23/h1-5,12-13,15-16,28H,6-11,14H2,(H2,24,25,26,27)
InChIKeySCMPHSKHGCIPQV-UHFFFAOYSA-N
XLogP3.90
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[[4-(benzenesulfonyl)-6-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(benzenesulfonyl)-6-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-(benzenesulfonyl)-6-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol (CID 118641961) is 4-[[4-(benzenesulfonyl)-6-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(benzenesulfonyl)-6-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-(benzenesulfonyl)-6-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol is O=S(=O)(c1ccccc1)c1cc(Nc2nc3c(s2)COCC3)nc(NC2CCC(O)CC2)c1.
What is the InChIKey of 4-[[4-(benzenesulfonyl)-6-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is SCMPHSKHGCIPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S2/c28-16-8-6-15(7-9-16)24-21-12-18(33(29,30)17-4-2-1-3-5-17)13-22(26-21)27-23-25-19-10-11-31-14-20(19)32-23/h1-5,12-13,15-16,28H,6-11,14H2,(H2,24,25,26,27).
What are the key properties of 4-[[4-(benzenesulfonyl)-6-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol?
4-[[4-(benzenesulfonyl)-6-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 486.62 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(benzenesulfonyl)-6-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylamino)-2-pyridinyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 118641961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).