1-cyano-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide

C10H11N3OS — CID 78994872

IUPAC1-cyano-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide
SMILESCc1cnc(NC(=O)C2(C#N)CCC2)s1
InChIInChI=1S/C10H11N3OS/c1-7-5-12-9(15-7)13-8(14)10(6-11)3-2-4-10/h5H,2-4H2,1H3,(H,12,13,14)
InChIKeyBNJMKOLGVRNHMC-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.08
Rot. Bonds2

About 1-cyano-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide

1-cyano-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide (PubChem CID 78994872) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-cyano-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide
PubChem CID78994872
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name1-cyano-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide
SMILESCc1cnc(NC(=O)C2(C#N)CCC2)s1
InChIInChI=1S/C10H11N3OS/c1-7-5-12-9(15-7)13-8(14)10(6-11)3-2-4-10/h5H,2-4H2,1H3,(H,12,13,14)
InChIKeyBNJMKOLGVRNHMC-UHFFFAOYSA-N
XLogP2.08
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide (CID 78994872) is 1-cyano-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide is Cc1cnc(NC(=O)C2(C#N)CCC2)s1.
What is the InChIKey of 1-cyano-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide?
The InChIKey is BNJMKOLGVRNHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7-5-12-9(15-7)13-8(14)10(6-11)3-2-4-10/h5H,2-4H2,1H3,(H,12,13,14).
What are the key properties of 1-cyano-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide?
1-cyano-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide has a molecular weight of 221.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78994872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).