[(2R)-1-[(4-acetyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]azanium

C8H12N3O2S+ — CID 137348403

IUPAC[(2R)-1-[(4-acetyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]azanium
SMILESCC(=O)c1csc(NC(=O)[C@@H](C)[NH3+])n1
InChIInChI=1S/C8H11N3O2S/c1-4(9)7(13)11-8-10-6(3-14-8)5(2)12/h3-4H,9H2,1-2H3,(H,10,11,13)/p+1/t4-/m1/s1
InChIKeyPANDLZPWXMPQCI-SCSAIBSYSA-O
MW214.27 g/mol
LogP-0.09
Rot. Bonds3

About [(2R)-1-[(4-acetyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]azanium

[(2R)-1-[(4-acetyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]azanium (PubChem CID 137348403) has the molecular formula C8H12N3O2S+ and a molecular weight of 214.27 g/mol. Its IUPAC name is [(2R)-1-[(4-acetyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-[(4-acetyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]azanium
PubChem CID137348403
Molecular FormulaC8H12N3O2S+
Molecular Weight214.27 g/mol
Exact Mass214.06
IUPAC Name[(2R)-1-[(4-acetyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]azanium
SMILESCC(=O)c1csc(NC(=O)[C@@H](C)[NH3+])n1
InChIInChI=1S/C8H11N3O2S/c1-4(9)7(13)11-8-10-6(3-14-8)5(2)12/h3-4H,9H2,1-2H3,(H,10,11,13)/p+1/t4-/m1/s1
InChIKeyPANDLZPWXMPQCI-SCSAIBSYSA-O
XLogP-0.09
TPSA86.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(4-acetyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]azanium?
The IUPAC name of [(2R)-1-[(4-acetyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]azanium (CID 137348403) is [(2R)-1-[(4-acetyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(2R)-1-[(4-acetyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(2R)-1-[(4-acetyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]azanium is CC(=O)c1csc(NC(=O)[C@@H](C)[NH3+])n1.
What is the InChIKey of [(2R)-1-[(4-acetyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]azanium?
The InChIKey is PANDLZPWXMPQCI-SCSAIBSYSA-O. The full InChI is InChI=1S/C8H11N3O2S/c1-4(9)7(13)11-8-10-6(3-14-8)5(2)12/h3-4H,9H2,1-2H3,(H,10,11,13)/p+1/t4-/m1/s1.
What are the key properties of [(2R)-1-[(4-acetyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]azanium?
[(2R)-1-[(4-acetyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]azanium has a molecular weight of 214.27 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(4-acetyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 137348403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).