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

C12H15N3OS — CID 103755577

IUPAC1-cyano-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCc1cnc(CNC(=O)C2(C#N)CC(C)C2)s1
InChIInChI=1S/C12H15N3OS/c1-8-3-12(4-8,7-13)11(16)15-6-10-14-5-9(2)17-10/h5,8H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyKXGYASMGTDUVGQ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.01
Rot. Bonds3

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

1-cyano-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 103755577) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-cyano-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxamide
PubChem CID103755577
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-cyano-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCc1cnc(CNC(=O)C2(C#N)CC(C)C2)s1
InChIInChI=1S/C12H15N3OS/c1-8-3-12(4-8,7-13)11(16)15-6-10-14-5-9(2)17-10/h5,8H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyKXGYASMGTDUVGQ-UHFFFAOYSA-N
XLogP2.01
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxamide (CID 103755577) is 1-cyano-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxamide is Cc1cnc(CNC(=O)C2(C#N)CC(C)C2)s1.
What is the InChIKey of 1-cyano-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is KXGYASMGTDUVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-3-12(4-8,7-13)11(16)15-6-10-14-5-9(2)17-10/h5,8H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 1-cyano-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxamide?
1-cyano-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 103755577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).