3-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-2-hydroxypropanamide

C9H14N4O2S — CID 106174674

IUPAC3-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1snc(N)c1C1CC1
InChIInChI=1S/C9H14N4O2S/c10-7-6(4-1-2-4)9(16-13-7)12-3-5(14)8(11)15/h4-5,12,14H,1-3H2,(H2,10,13)(H2,11,15)
InChIKeyQJHNOOJSQMSAHE-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.14
Rot. Bonds5

About 3-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-2-hydroxypropanamide

3-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-2-hydroxypropanamide (PubChem CID 106174674) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-2-hydroxypropanamide
PubChem CID106174674
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name3-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1snc(N)c1C1CC1
InChIInChI=1S/C9H14N4O2S/c10-7-6(4-1-2-4)9(16-13-7)12-3-5(14)8(11)15/h4-5,12,14H,1-3H2,(H2,10,13)(H2,11,15)
InChIKeyQJHNOOJSQMSAHE-UHFFFAOYSA-N
XLogP-0.14
TPSA114.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-2-hydroxypropanamide (CID 106174674) is 3-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-2-hydroxypropanamide is NC(=O)C(O)CNc1snc(N)c1C1CC1.
What is the InChIKey of 3-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-2-hydroxypropanamide?
The InChIKey is QJHNOOJSQMSAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c10-7-6(4-1-2-4)9(16-13-7)12-3-5(14)8(11)15/h4-5,12,14H,1-3H2,(H2,10,13)(H2,11,15).
What are the key properties of 3-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-2-hydroxypropanamide?
3-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-2-hydroxypropanamide has a molecular weight of 242.30 g/mol, XLogP of -0.14, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106174674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).