N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide

C15H15Cl2N3O2S — CID 119687344

IUPACN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide
SMILESO=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C1CNCCO1
InChIInChI=1S/C15H15Cl2N3O2S/c16-10-1-2-12(17)9(5-10)6-11-7-19-15(23-11)20-14(21)13-8-18-3-4-22-13/h1-2,5,7,13,18H,3-4,6,8H2,(H,19,20,21)
InChIKeyBBCQANMVSCMYCJ-UHFFFAOYSA-N
MW372.28 g/mol
LogP2.97
Rot. Bonds4

About N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide (PubChem CID 119687344) has the molecular formula C15H15Cl2N3O2S and a molecular weight of 372.28 g/mol. Its IUPAC name is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide
PubChem CID119687344
Molecular FormulaC15H15Cl2N3O2S
Molecular Weight372.28 g/mol
Exact Mass371.03
IUPAC NameN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide
SMILESO=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C1CNCCO1
InChIInChI=1S/C15H15Cl2N3O2S/c16-10-1-2-12(17)9(5-10)6-11-7-19-15(23-11)20-14(21)13-8-18-3-4-22-13/h1-2,5,7,13,18H,3-4,6,8H2,(H,19,20,21)
InChIKeyBBCQANMVSCMYCJ-UHFFFAOYSA-N
XLogP2.97
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide 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 N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide?
The IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide (CID 119687344) is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide?
The canonical SMILES for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide is O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C1CNCCO1.
What is the InChIKey of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide?
The InChIKey is BBCQANMVSCMYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2S/c16-10-1-2-12(17)9(5-10)6-11-7-19-15(23-11)20-14(21)13-8-18-3-4-22-13/h1-2,5,7,13,18H,3-4,6,8H2,(H,19,20,21).
What are the key properties of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide?
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide has a molecular weight of 372.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 119687344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).