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

C10H13N5O2S2 — CID 106174670

IUPAC3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide
SMILESCc1nc(-c2c(N)nsc2NCC(O)C(N)=O)cs1
InChIInChI=1S/C10H13N5O2S2/c1-4-14-5(3-18-4)7-8(11)15-19-10(7)13-2-6(16)9(12)17/h3,6,13,16H,2H2,1H3,(H2,11,15)(H2,12,17)
InChIKeyVAEXYUVNGNAFDL-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.42
Rot. Bonds5

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

3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide (PubChem CID 106174670) has the molecular formula C10H13N5O2S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide
PubChem CID106174670
Molecular FormulaC10H13N5O2S2
Molecular Weight299.38 g/mol
Exact Mass299.05
IUPAC Name3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide
SMILESCc1nc(-c2c(N)nsc2NCC(O)C(N)=O)cs1
InChIInChI=1S/C10H13N5O2S2/c1-4-14-5(3-18-4)7-8(11)15-19-10(7)13-2-6(16)9(12)17/h3,6,13,16H,2H2,1H3,(H2,11,15)(H2,12,17)
InChIKeyVAEXYUVNGNAFDL-UHFFFAOYSA-N
XLogP0.42
TPSA127.15 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide?
The IUPAC name of 3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide (CID 106174670) is 3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide is Cc1nc(-c2c(N)nsc2NCC(O)C(N)=O)cs1.
What is the InChIKey of 3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide?
The InChIKey is VAEXYUVNGNAFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S2/c1-4-14-5(3-18-4)7-8(11)15-19-10(7)13-2-6(16)9(12)17/h3,6,13,16H,2H2,1H3,(H2,11,15)(H2,12,17).
What are the key properties of 3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide?
3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide has a molecular weight of 299.38 g/mol, XLogP of 0.42, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]amino]-2-hydroxypropanamide is sourced from PubChem (CID 106174670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).