N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-phenylbenzamide

C21H21N3O2S — CID 31962491

IUPACN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
SMILESO=C(Nc1nc(CN2CCOCC2)cs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H21N3O2S/c25-20(18-8-6-17(7-9-18)16-4-2-1-3-5-16)23-21-22-19(15-27-21)14-24-10-12-26-13-11-24/h1-9,15H,10-14H2,(H,22,23,25)
InChIKeyDMQCOMYZMWPLNM-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.89
Rot. Bonds5

About N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-phenylbenzamide

N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-phenylbenzamide (PubChem CID 31962491) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
PubChem CID31962491
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
SMILESO=C(Nc1nc(CN2CCOCC2)cs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H21N3O2S/c25-20(18-8-6-17(7-9-18)16-4-2-1-3-5-16)23-21-22-19(15-27-21)14-24-10-12-26-13-11-24/h1-9,15H,10-14H2,(H,22,23,25)
InChIKeyDMQCOMYZMWPLNM-UHFFFAOYSA-N
XLogP3.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-phenylbenzamide (CID 31962491) is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-phenylbenzamide is O=C(Nc1nc(CN2CCOCC2)cs1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-phenylbenzamide?
The InChIKey is DMQCOMYZMWPLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-20(18-8-6-17(7-9-18)16-4-2-1-3-5-16)23-21-22-19(15-27-21)14-24-10-12-26-13-11-24/h1-9,15H,10-14H2,(H,22,23,25).
What are the key properties of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-phenylbenzamide?
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-phenylbenzamide has a molecular weight of 379.49 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 31962491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).