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

C14H15N3O2S — CID 656113

IUPACN-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(CC(=O)Nc2ccccc2)cs1
InChIInChI=1S/C14H15N3O2S/c1-2-12(18)17-14-16-11(9-20-14)8-13(19)15-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyYORLMHRPDJICRF-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.67
Rot. Bonds5

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

N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 656113) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID656113
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(CC(=O)Nc2ccccc2)cs1
InChIInChI=1S/C14H15N3O2S/c1-2-12(18)17-14-16-11(9-20-14)8-13(19)15-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyYORLMHRPDJICRF-UHFFFAOYSA-N
XLogP2.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]propanamide (CID 656113) is N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(CC(=O)Nc2ccccc2)cs1.
What is the InChIKey of N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is YORLMHRPDJICRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-2-12(18)17-14-16-11(9-20-14)8-13(19)15-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]propanamide?
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 289.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 656113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).