1-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dipropylazetidine-3-carboxamide

C18H25N3O2S — CID 90604158

IUPAC1-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dipropylazetidine-3-carboxamide
SMILESCCCN(CCC)C(=O)C1CN(c2nc3ccc(OC)cc3s2)C1
InChIInChI=1S/C18H25N3O2S/c1-4-8-20(9-5-2)17(22)13-11-21(12-13)18-19-15-7-6-14(23-3)10-16(15)24-18/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3
InChIKeyXNZIDQIERYLBSQ-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.39
Rot. Bonds7

About 1-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dipropylazetidine-3-carboxamide

1-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dipropylazetidine-3-carboxamide (PubChem CID 90604158) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dipropylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dipropylazetidine-3-carboxamide
PubChem CID90604158
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name1-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dipropylazetidine-3-carboxamide
SMILESCCCN(CCC)C(=O)C1CN(c2nc3ccc(OC)cc3s2)C1
InChIInChI=1S/C18H25N3O2S/c1-4-8-20(9-5-2)17(22)13-11-21(12-13)18-19-15-7-6-14(23-3)10-16(15)24-18/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3
InChIKeyXNZIDQIERYLBSQ-UHFFFAOYSA-N
XLogP3.39
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dipropylazetidine-3-carboxamide?
The IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dipropylazetidine-3-carboxamide (CID 90604158) is 1-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dipropylazetidine-3-carboxamide.
What is the SMILES notation for 1-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dipropylazetidine-3-carboxamide?
The canonical SMILES for 1-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dipropylazetidine-3-carboxamide is CCCN(CCC)C(=O)C1CN(c2nc3ccc(OC)cc3s2)C1.
What is the InChIKey of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dipropylazetidine-3-carboxamide?
The InChIKey is XNZIDQIERYLBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-4-8-20(9-5-2)17(22)13-11-21(12-13)18-19-15-7-6-14(23-3)10-16(15)24-18/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dipropylazetidine-3-carboxamide?
1-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dipropylazetidine-3-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1,3-benzothiazol-2-yl)-N,N-dipropylazetidine-3-carboxamide is sourced from PubChem (CID 90604158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).