oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate

C23H24N4O4S — CID 134203901

IUPACoxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate
SMILESCc1ncc(-c2ccc3nc(NC(=O)C4CC4)sc3c2)cc1NC(=O)OC1CCOCC1
InChIInChI=1S/C23H24N4O4S/c1-13-19(26-23(29)31-17-6-8-30-9-7-17)10-16(12-24-13)15-4-5-18-20(11-15)32-22(25-18)27-21(28)14-2-3-14/h4-5,10-12,14,17H,2-3,6-9H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyCWGYJOVAHWYDTO-UHFFFAOYSA-N
MW452.54 g/mol
LogP4.74
Rot. Bonds5

About oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate

oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate (PubChem CID 134203901) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameoxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate
PubChem CID134203901
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Nameoxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate
SMILESCc1ncc(-c2ccc3nc(NC(=O)C4CC4)sc3c2)cc1NC(=O)OC1CCOCC1
InChIInChI=1S/C23H24N4O4S/c1-13-19(26-23(29)31-17-6-8-30-9-7-17)10-16(12-24-13)15-4-5-18-20(11-15)32-22(25-18)27-21(28)14-2-3-14/h4-5,10-12,14,17H,2-3,6-9H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyCWGYJOVAHWYDTO-UHFFFAOYSA-N
XLogP4.74
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate 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 N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate?
The IUPAC name of oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate (CID 134203901) is oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate.
What is the SMILES notation for oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate?
The canonical SMILES for oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate is Cc1ncc(-c2ccc3nc(NC(=O)C4CC4)sc3c2)cc1NC(=O)OC1CCOCC1.
What is the InChIKey of oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate?
The InChIKey is CWGYJOVAHWYDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-13-19(26-23(29)31-17-6-8-30-9-7-17)10-16(12-24-13)15-4-5-18-20(11-15)32-22(25-18)27-21(28)14-2-3-14/h4-5,10-12,14,17H,2-3,6-9H2,1H3,(H,26,29)(H,25,27,28).
What are the key properties of oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate?
oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate has a molecular weight of 452.54 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl N-[5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methyl-3-pyridinyl]carbamate is sourced from PubChem (CID 134203901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).