oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

C25H26N4O4S — CID 137368357

IUPACoxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESO=C(Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CCC4)cc2s1)C1CC1
InChIInChI=1S/C25H26N4O4S/c30-23(15-3-4-15)28-24-27-20-6-5-16(13-22(20)34-24)17-12-21-19(26-14-17)2-1-9-29(21)25(31)33-18-7-10-32-11-8-18/h5-6,12-15,18H,1-4,7-11H2,(H,27,28,30)
InChIKeyUBDBFESOHXJSHO-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.78
Rot. Bonds4

About oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate

oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (PubChem CID 137368357) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nameoxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
PubChem CID137368357
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC Nameoxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
SMILESO=C(Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CCC4)cc2s1)C1CC1
InChIInChI=1S/C25H26N4O4S/c30-23(15-3-4-15)28-24-27-20-6-5-16(13-22(20)34-24)17-12-21-19(26-14-17)2-1-9-29(21)25(31)33-18-7-10-32-11-8-18/h5-6,12-15,18H,1-4,7-11H2,(H,27,28,30)
InChIKeyUBDBFESOHXJSHO-UHFFFAOYSA-N
XLogP4.78
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The IUPAC name of oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate (CID 137368357) is oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate.
What is the SMILES notation for oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The canonical SMILES for oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is O=C(Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CCC4)cc2s1)C1CC1.
What is the InChIKey of oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
The InChIKey is UBDBFESOHXJSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c30-23(15-3-4-15)28-24-27-20-6-5-16(13-22(20)34-24)17-12-21-19(26-14-17)2-1-9-29(21)25(31)33-18-7-10-32-11-8-18/h5-6,12-15,18H,1-4,7-11H2,(H,27,28,30).
What are the key properties of oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate?
oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate has a molecular weight of 478.57 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate is sourced from PubChem (CID 137368357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).