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

C7H7ClN4O2S — CID 106177732

IUPAC3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-2-hydroxypropanamide
SMILESN#Cc1sc(NCC(O)C(N)=O)nc1Cl
InChIInChI=1S/C7H7ClN4O2S/c8-5-4(1-9)15-7(12-5)11-2-3(13)6(10)14/h3,13H,2H2,(H2,10,14)(H,11,12)
InChIKeyAEXDPQPUJXIVST-UHFFFAOYSA-N
MW246.68 g/mol
LogP-0.07
Rot. Bonds4

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

3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-2-hydroxypropanamide (PubChem CID 106177732) has the molecular formula C7H7ClN4O2S and a molecular weight of 246.68 g/mol. Its IUPAC name is 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-2-hydroxypropanamide
PubChem CID106177732
Molecular FormulaC7H7ClN4O2S
Molecular Weight246.68 g/mol
Exact Mass246.00
IUPAC Name3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-2-hydroxypropanamide
SMILESN#Cc1sc(NCC(O)C(N)=O)nc1Cl
InChIInChI=1S/C7H7ClN4O2S/c8-5-4(1-9)15-7(12-5)11-2-3(13)6(10)14/h3,13H,2H2,(H2,10,14)(H,11,12)
InChIKeyAEXDPQPUJXIVST-UHFFFAOYSA-N
XLogP-0.07
TPSA112.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.68
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-2-hydroxypropanamide (CID 106177732) is 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-2-hydroxypropanamide is N#Cc1sc(NCC(O)C(N)=O)nc1Cl.
What is the InChIKey of 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-2-hydroxypropanamide?
The InChIKey is AEXDPQPUJXIVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O2S/c8-5-4(1-9)15-7(12-5)11-2-3(13)6(10)14/h3,13H,2H2,(H2,10,14)(H,11,12).
What are the key properties of 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-2-hydroxypropanamide?
3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-2-hydroxypropanamide has a molecular weight of 246.68 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106177732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).