(2R)-2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide

C6H11N3OS — CID 131089663

IUPAC(2R)-2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](N)C(=O)NC1=NCCS1
InChIInChI=1S/C6H11N3OS/c1-4(7)5(10)9-6-8-2-3-11-6/h4H,2-3,7H2,1H3,(H,8,9,10)/t4-/m1/s1
InChIKeyVCYCKBLYXPWBNV-SCSAIBSYSA-N
MW173.24 g/mol
LogP-0.45
Rot. Bonds1

About (2R)-2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide

(2R)-2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide (PubChem CID 131089663) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is (2R)-2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
PubChem CID131089663
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name(2R)-2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](N)C(=O)NC1=NCCS1
InChIInChI=1S/C6H11N3OS/c1-4(7)5(10)9-6-8-2-3-11-6/h4H,2-3,7H2,1H3,(H,8,9,10)/t4-/m1/s1
InChIKeyVCYCKBLYXPWBNV-SCSAIBSYSA-N
XLogP-0.45
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide (CID 131089663) is (2R)-2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide is C[C@@H](N)C(=O)NC1=NCCS1.
What is the InChIKey of (2R)-2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The InChIKey is VCYCKBLYXPWBNV-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-4(7)5(10)9-6-8-2-3-11-6/h4H,2-3,7H2,1H3,(H,8,9,10)/t4-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
(2R)-2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide has a molecular weight of 173.24 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 131089663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).