(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide

C19H21N5O2S — CID 119772337

IUPAC(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
SMILESN[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C19H21N5O2S/c20-15(18(25)23-19-22-16-6-7-26-11-17(16)27-19)8-14-10-24(12-21-14)9-13-4-2-1-3-5-13/h1-5,10,12,15H,6-9,11,20H2,(H,22,23,25)/t15-/m0/s1
InChIKeyZERBFLLJDDOLCS-HNNXBMFYSA-N
MW383.48 g/mol
LogP1.97
Rot. Bonds6

About (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide

(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide (PubChem CID 119772337) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
PubChem CID119772337
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
SMILESN[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C19H21N5O2S/c20-15(18(25)23-19-22-16-6-7-26-11-17(16)27-19)8-14-10-24(12-21-14)9-13-4-2-1-3-5-13/h1-5,10,12,15H,6-9,11,20H2,(H,22,23,25)/t15-/m0/s1
InChIKeyZERBFLLJDDOLCS-HNNXBMFYSA-N
XLogP1.97
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide (CID 119772337) is (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide is N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)Nc1nc2c(s1)COCC2.
What is the InChIKey of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide?
The InChIKey is ZERBFLLJDDOLCS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c20-15(18(25)23-19-22-16-6-7-26-11-17(16)27-19)8-14-10-24(12-21-14)9-13-4-2-1-3-5-13/h1-5,10,12,15H,6-9,11,20H2,(H,22,23,25)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide?
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide has a molecular weight of 383.48 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide is sourced from PubChem (CID 119772337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).