(2S)-2-amino-N-[5-benzyl-4-(2,3-dihydro-1H-inden-2-yloxymethyl)-1,3-thiazol-2-yl]propanamide

C23H25N3O2S — CID 23646358

IUPAC(2S)-2-amino-N-[5-benzyl-4-(2,3-dihydro-1H-inden-2-yloxymethyl)-1,3-thiazol-2-yl]propanamide
SMILESC[C@H](N)C(=O)Nc1nc(COC2Cc3ccccc3C2)c(Cc2ccccc2)s1
InChIInChI=1S/C23H25N3O2S/c1-15(24)22(27)26-23-25-20(21(29-23)11-16-7-3-2-4-8-16)14-28-19-12-17-9-5-6-10-18(17)13-19/h2-10,15,19H,11-14,24H2,1H3,(H,25,26,27)/t15-/m0/s1
InChIKeyNJLCBCUEQWZJFS-HNNXBMFYSA-N
MW407.54 g/mol
LogP3.70
Rot. Bonds7

About (2S)-2-amino-N-[5-benzyl-4-(2,3-dihydro-1H-inden-2-yloxymethyl)-1,3-thiazol-2-yl]propanamide

(2S)-2-amino-N-[5-benzyl-4-(2,3-dihydro-1H-inden-2-yloxymethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 23646358) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is (2S)-2-amino-N-[5-benzyl-4-(2,3-dihydro-1H-inden-2-yloxymethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[5-benzyl-4-(2,3-dihydro-1H-inden-2-yloxymethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID23646358
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name(2S)-2-amino-N-[5-benzyl-4-(2,3-dihydro-1H-inden-2-yloxymethyl)-1,3-thiazol-2-yl]propanamide
SMILESC[C@H](N)C(=O)Nc1nc(COC2Cc3ccccc3C2)c(Cc2ccccc2)s1
InChIInChI=1S/C23H25N3O2S/c1-15(24)22(27)26-23-25-20(21(29-23)11-16-7-3-2-4-8-16)14-28-19-12-17-9-5-6-10-18(17)13-19/h2-10,15,19H,11-14,24H2,1H3,(H,25,26,27)/t15-/m0/s1
InChIKeyNJLCBCUEQWZJFS-HNNXBMFYSA-N
XLogP3.70
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[5-benzyl-4-(2,3-dihydro-1H-inden-2-yloxymethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[5-benzyl-4-(2,3-dihydro-1H-inden-2-yloxymethyl)-1,3-thiazol-2-yl]propanamide (CID 23646358) is (2S)-2-amino-N-[5-benzyl-4-(2,3-dihydro-1H-inden-2-yloxymethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[5-benzyl-4-(2,3-dihydro-1H-inden-2-yloxymethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[5-benzyl-4-(2,3-dihydro-1H-inden-2-yloxymethyl)-1,3-thiazol-2-yl]propanamide is C[C@H](N)C(=O)Nc1nc(COC2Cc3ccccc3C2)c(Cc2ccccc2)s1.
What is the InChIKey of (2S)-2-amino-N-[5-benzyl-4-(2,3-dihydro-1H-inden-2-yloxymethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is NJLCBCUEQWZJFS-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-15(24)22(27)26-23-25-20(21(29-23)11-16-7-3-2-4-8-16)14-28-19-12-17-9-5-6-10-18(17)13-19/h2-10,15,19H,11-14,24H2,1H3,(H,25,26,27)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[5-benzyl-4-(2,3-dihydro-1H-inden-2-yloxymethyl)-1,3-thiazol-2-yl]propanamide?
(2S)-2-amino-N-[5-benzyl-4-(2,3-dihydro-1H-inden-2-yloxymethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 407.54 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[5-benzyl-4-(2,3-dihydro-1H-inden-2-yloxymethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 23646358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).