3-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide

C16H16N4O2S — CID 4879544

IUPAC3-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)NCCC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C16H16N4O2S/c1-10(21)17-7-6-15(22)20-16-19-14(9-23-16)12-8-18-13-5-3-2-4-11(12)13/h2-5,8-9,18H,6-7H2,1H3,(H,17,21)(H,19,20,22)
InChIKeyRWIJRTGBQGYHOD-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.76
Rot. Bonds5

About 3-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide

3-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 4879544) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 3-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID4879544
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name3-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)NCCC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C16H16N4O2S/c1-10(21)17-7-6-15(22)20-16-19-14(9-23-16)12-8-18-13-5-3-2-4-11(12)13/h2-5,8-9,18H,6-7H2,1H3,(H,17,21)(H,19,20,22)
InChIKeyRWIJRTGBQGYHOD-UHFFFAOYSA-N
XLogP2.76
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide (CID 4879544) is 3-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide is CC(=O)NCCC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1.
What is the InChIKey of 3-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is RWIJRTGBQGYHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-10(21)17-7-6-15(22)20-16-19-14(9-23-16)12-8-18-13-5-3-2-4-11(12)13/h2-5,8-9,18H,6-7H2,1H3,(H,17,21)(H,19,20,22).
What are the key properties of 3-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide?
3-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 328.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 4879544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).