(2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide

C18H17N3OS — CID 23646351

IUPAC(2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide
SMILESC[C@H](N)C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C18H17N3OS/c1-12(19)17(22)21-18-20-15(13-8-4-2-5-9-13)16(23-18)14-10-6-3-7-11-14/h2-12H,19H2,1H3,(H,20,21,22)/t12-/m0/s1
InChIKeyACAHAYSKCDTFST-LBPRGKRZSA-N
MW323.42 g/mol
LogP3.76
Rot. Bonds4

About (2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide

(2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 23646351) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is (2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide
PubChem CID23646351
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name(2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide
SMILESC[C@H](N)C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C18H17N3OS/c1-12(19)17(22)21-18-20-15(13-8-4-2-5-9-13)16(23-18)14-10-6-3-7-11-14/h2-12H,19H2,1H3,(H,20,21,22)/t12-/m0/s1
InChIKeyACAHAYSKCDTFST-LBPRGKRZSA-N
XLogP3.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide (CID 23646351) is (2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide is C[C@H](N)C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of (2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is ACAHAYSKCDTFST-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12(19)17(22)21-18-20-15(13-8-4-2-5-9-13)16(23-18)14-10-6-3-7-11-14/h2-12H,19H2,1H3,(H,20,21,22)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide?
(2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 323.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 23646351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).