2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide

C11H13N3OS — CID 61061255

IUPAC2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C11H13N3OS/c1-11(2,6-12)9(15)14-10-13-7-4-3-5-8(7)16-10/h3-5H2,1-2H3,(H,13,14,15)
InChIKeyHWMIIRCABVHNAF-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.12
Rot. Bonds2

About 2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide

2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide (PubChem CID 61061255) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide
PubChem CID61061255
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C11H13N3OS/c1-11(2,6-12)9(15)14-10-13-7-4-3-5-8(7)16-10/h3-5H2,1-2H3,(H,13,14,15)
InChIKeyHWMIIRCABVHNAF-UHFFFAOYSA-N
XLogP2.12
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide?
The IUPAC name of 2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide (CID 61061255) is 2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide is CC(C)(C#N)C(=O)Nc1nc2c(s1)CCC2.
What is the InChIKey of 2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide?
The InChIKey is HWMIIRCABVHNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-11(2,6-12)9(15)14-10-13-7-4-3-5-8(7)16-10/h3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide?
2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide has a molecular weight of 235.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 61061255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).