N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide

C14H14BrN3O2S — CID 1076583

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Br)cc2)cs1)N1CCOCC1
InChIInChI=1S/C14H14BrN3O2S/c15-11-3-1-10(2-4-11)12-9-21-13(16-12)17-14(19)18-5-7-20-8-6-18/h1-4,9H,5-8H2,(H,16,17,19)
InChIKeyVWVFQRBRJSPASM-UHFFFAOYSA-N
MW368.26 g/mol
LogP3.44
Rot. Bonds2

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide (PubChem CID 1076583) has the molecular formula C14H14BrN3O2S and a molecular weight of 368.26 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide
PubChem CID1076583
Molecular FormulaC14H14BrN3O2S
Molecular Weight368.26 g/mol
Exact Mass367.00
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Br)cc2)cs1)N1CCOCC1
InChIInChI=1S/C14H14BrN3O2S/c15-11-3-1-10(2-4-11)12-9-21-13(16-12)17-14(19)18-5-7-20-8-6-18/h1-4,9H,5-8H2,(H,16,17,19)
InChIKeyVWVFQRBRJSPASM-UHFFFAOYSA-N
XLogP3.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide (CID 1076583) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide is O=C(Nc1nc(-c2ccc(Br)cc2)cs1)N1CCOCC1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide?
The InChIKey is VWVFQRBRJSPASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2S/c15-11-3-1-10(2-4-11)12-9-21-13(16-12)17-14(19)18-5-7-20-8-6-18/h1-4,9H,5-8H2,(H,16,17,19).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide has a molecular weight of 368.26 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 1076583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).