N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide

C16H19N3O2S — CID 2336901

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESCc1ccc(-c2csc(NC(=O)CN3CCOCC3)n2)cc1
InChIInChI=1S/C16H19N3O2S/c1-12-2-4-13(5-3-12)14-11-22-16(17-14)18-15(20)10-19-6-8-21-9-7-19/h2-5,11H,6-10H2,1H3,(H,17,18,20)
InChIKeyOXVHUCBDTYJZKC-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.39
Rot. Bonds4

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

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide (PubChem CID 2336901) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
PubChem CID2336901
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
SMILESCc1ccc(-c2csc(NC(=O)CN3CCOCC3)n2)cc1
InChIInChI=1S/C16H19N3O2S/c1-12-2-4-13(5-3-12)14-11-22-16(17-14)18-15(20)10-19-6-8-21-9-7-19/h2-5,11H,6-10H2,1H3,(H,17,18,20)
InChIKeyOXVHUCBDTYJZKC-UHFFFAOYSA-N
XLogP2.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide (CID 2336901) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide is Cc1ccc(-c2csc(NC(=O)CN3CCOCC3)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
The InChIKey is OXVHUCBDTYJZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-12-2-4-13(5-3-12)14-11-22-16(17-14)18-15(20)10-19-6-8-21-9-7-19/h2-5,11H,6-10H2,1H3,(H,17,18,20).
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide has a molecular weight of 317.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 2336901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).