N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide

C16H18ClN3O2S — CID 1090745

IUPACN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C16H18ClN3O2S/c17-14-4-2-1-3-12(14)9-13-10-18-16(23-13)19-15(21)11-20-5-7-22-8-6-20/h1-4,10H,5-9,11H2,(H,18,19,21)
InChIKeyHUMPFJMEWYQLMM-UHFFFAOYSA-N
MW351.86 g/mol
LogP2.66
Rot. Bonds5

About N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide (PubChem CID 1090745) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
PubChem CID1090745
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C16H18ClN3O2S/c17-14-4-2-1-3-12(14)9-13-10-18-16(23-13)19-15(21)11-20-5-7-22-8-6-20/h1-4,10H,5-9,11H2,(H,18,19,21)
InChIKeyHUMPFJMEWYQLMM-UHFFFAOYSA-N
XLogP2.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide (CID 1090745) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ncc(Cc2ccccc2Cl)s1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The InChIKey is HUMPFJMEWYQLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c17-14-4-2-1-3-12(14)9-13-10-18-16(23-13)19-15(21)11-20-5-7-22-8-6-20/h1-4,10H,5-9,11H2,(H,18,19,21).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide has a molecular weight of 351.86 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 1090745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).