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

C14H23N3O2S — CID 56912746

IUPACN-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-morpholin-3-ylacetamide
SMILESCCCc1nc(C)c(CNC(=O)CC2COCCN2)s1
InChIInChI=1S/C14H23N3O2S/c1-3-4-14-17-10(2)12(20-14)8-16-13(18)7-11-9-19-6-5-15-11/h11,15H,3-9H2,1-2H3,(H,16,18)
InChIKeyYCVSBTIEBULDNM-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.40
Rot. Bonds6

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

N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-morpholin-3-ylacetamide (PubChem CID 56912746) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-morpholin-3-ylacetamide
PubChem CID56912746
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-morpholin-3-ylacetamide
SMILESCCCc1nc(C)c(CNC(=O)CC2COCCN2)s1
InChIInChI=1S/C14H23N3O2S/c1-3-4-14-17-10(2)12(20-14)8-16-13(18)7-11-9-19-6-5-15-11/h11,15H,3-9H2,1-2H3,(H,16,18)
InChIKeyYCVSBTIEBULDNM-UHFFFAOYSA-N
XLogP1.40
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-morpholin-3-ylacetamide?
The IUPAC name of N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-morpholin-3-ylacetamide (CID 56912746) is N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-morpholin-3-ylacetamide?
The canonical SMILES for N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-morpholin-3-ylacetamide is CCCc1nc(C)c(CNC(=O)CC2COCCN2)s1.
What is the InChIKey of N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-morpholin-3-ylacetamide?
The InChIKey is YCVSBTIEBULDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-4-14-17-10(2)12(20-14)8-16-13(18)7-11-9-19-6-5-15-11/h11,15H,3-9H2,1-2H3,(H,16,18).
What are the key properties of N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-morpholin-3-ylacetamide?
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-morpholin-3-ylacetamide has a molecular weight of 297.42 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-morpholin-3-ylacetamide is sourced from PubChem (CID 56912746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).