2,2-dimethyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide

C14H23N3O2S — CID 18568225

IUPAC2,2-dimethyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)CNC(=O)Cc1csc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C14H23N3O2S/c1-9(2)7-15-11(18)6-10-8-20-13(16-10)17-12(19)14(3,4)5/h8-9H,6-7H2,1-5H3,(H,15,18)(H,16,17,19)
InChIKeyIZHVXZLSKKWRIA-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.44
Rot. Bonds5

About 2,2-dimethyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide

2,2-dimethyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 18568225) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
PubChem CID18568225
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2,2-dimethyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)CNC(=O)Cc1csc(NC(=O)C(C)(C)C)n1
InChIInChI=1S/C14H23N3O2S/c1-9(2)7-15-11(18)6-10-8-20-13(16-10)17-12(19)14(3,4)5/h8-9H,6-7H2,1-5H3,(H,15,18)(H,16,17,19)
InChIKeyIZHVXZLSKKWRIA-UHFFFAOYSA-N
XLogP2.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide (CID 18568225) is 2,2-dimethyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide is CC(C)CNC(=O)Cc1csc(NC(=O)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is IZHVXZLSKKWRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-9(2)7-15-11(18)6-10-8-20-13(16-10)17-12(19)14(3,4)5/h8-9H,6-7H2,1-5H3,(H,15,18)(H,16,17,19).
What are the key properties of 2,2-dimethyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
2,2-dimethyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 297.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 18568225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).