3-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide

C9H13N5OS — CID 103383150

IUPAC3-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1snc(N)c1C#N
InChIInChI=1S/C9H13N5OS/c1-14(2)7(15)3-4-12-9-6(5-10)8(11)13-16-9/h12H,3-4H2,1-2H3,(H2,11,13)
InChIKeyUTNXJSRUHRUKDD-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.49
Rot. Bonds4

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

3-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide (PubChem CID 103383150) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide
PubChem CID103383150
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name3-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1snc(N)c1C#N
InChIInChI=1S/C9H13N5OS/c1-14(2)7(15)3-4-12-9-6(5-10)8(11)13-16-9/h12H,3-4H2,1-2H3,(H2,11,13)
InChIKeyUTNXJSRUHRUKDD-UHFFFAOYSA-N
XLogP0.49
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide (CID 103383150) is 3-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1snc(N)c1C#N.
What is the InChIKey of 3-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is UTNXJSRUHRUKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-14(2)7(15)3-4-12-9-6(5-10)8(11)13-16-9/h12H,3-4H2,1-2H3,(H2,11,13).
What are the key properties of 3-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide?
3-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 239.30 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 103383150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).