2-cyano-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide

C10H13N3OS — CID 63284243

IUPAC2-cyano-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncsc1CNC(=O)C(C)(C)C#N
InChIInChI=1S/C10H13N3OS/c1-7-8(15-6-13-7)4-12-9(14)10(2,3)5-11/h6H,4H2,1-3H3,(H,12,14)
InChIKeyQYNWRHNRTLZSCR-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.62
Rot. Bonds3

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

2-cyano-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 63284243) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID63284243
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-cyano-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncsc1CNC(=O)C(C)(C)C#N
InChIInChI=1S/C10H13N3OS/c1-7-8(15-6-13-7)4-12-9(14)10(2,3)5-11/h6H,4H2,1-3H3,(H,12,14)
InChIKeyQYNWRHNRTLZSCR-UHFFFAOYSA-N
XLogP1.62
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 2-cyano-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide (CID 63284243) is 2-cyano-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide is Cc1ncsc1CNC(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is QYNWRHNRTLZSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7-8(15-6-13-7)4-12-9(14)10(2,3)5-11/h6H,4H2,1-3H3,(H,12,14).
What are the key properties of 2-cyano-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide?
2-cyano-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 223.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 63284243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).