(2S)-2-amino-N,3-bis(1,3-thiazol-2-yl)propanamide

C9H10N4OS2 — CID 141136477

IUPAC(2S)-2-amino-N,3-bis(1,3-thiazol-2-yl)propanamide
SMILESN[C@@H](Cc1nccs1)C(=O)Nc1nccs1
InChIInChI=1S/C9H10N4OS2/c10-6(5-7-11-1-3-15-7)8(14)13-9-12-2-4-16-9/h1-4,6H,5,10H2,(H,12,13,14)/t6-/m0/s1
InChIKeyHIDWUJOTWRYKBV-LURJTMIESA-N
MW254.34 g/mol
LogP1.11
Rot. Bonds4

About (2S)-2-amino-N,3-bis(1,3-thiazol-2-yl)propanamide

(2S)-2-amino-N,3-bis(1,3-thiazol-2-yl)propanamide (PubChem CID 141136477) has the molecular formula C9H10N4OS2 and a molecular weight of 254.34 g/mol. Its IUPAC name is (2S)-2-amino-N,3-bis(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,3-bis(1,3-thiazol-2-yl)propanamide
PubChem CID141136477
Molecular FormulaC9H10N4OS2
Molecular Weight254.34 g/mol
Exact Mass254.03
IUPAC Name(2S)-2-amino-N,3-bis(1,3-thiazol-2-yl)propanamide
SMILESN[C@@H](Cc1nccs1)C(=O)Nc1nccs1
InChIInChI=1S/C9H10N4OS2/c10-6(5-7-11-1-3-15-7)8(14)13-9-12-2-4-16-9/h1-4,6H,5,10H2,(H,12,13,14)/t6-/m0/s1
InChIKeyHIDWUJOTWRYKBV-LURJTMIESA-N
XLogP1.11
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3-bis(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-amino-N,3-bis(1,3-thiazol-2-yl)propanamide (CID 141136477) is (2S)-2-amino-N,3-bis(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N,3-bis(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N,3-bis(1,3-thiazol-2-yl)propanamide is N[C@@H](Cc1nccs1)C(=O)Nc1nccs1.
What is the InChIKey of (2S)-2-amino-N,3-bis(1,3-thiazol-2-yl)propanamide?
The InChIKey is HIDWUJOTWRYKBV-LURJTMIESA-N. The full InChI is InChI=1S/C9H10N4OS2/c10-6(5-7-11-1-3-15-7)8(14)13-9-12-2-4-16-9/h1-4,6H,5,10H2,(H,12,13,14)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N,3-bis(1,3-thiazol-2-yl)propanamide?
(2S)-2-amino-N,3-bis(1,3-thiazol-2-yl)propanamide has a molecular weight of 254.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,3-bis(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 141136477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).