N-cycloheptyl-1,3-thiazole-4-carboxamide

C11H16N2OS — CID 62046160

IUPACN-cycloheptyl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1cscn1
InChIInChI=1S/C11H16N2OS/c14-11(10-7-15-8-12-10)13-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,13,14)
InChIKeyAMBIAKJXMAGRLQ-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.60
Rot. Bonds2

About N-cycloheptyl-1,3-thiazole-4-carboxamide

N-cycloheptyl-1,3-thiazole-4-carboxamide (PubChem CID 62046160) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-cycloheptyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1,3-thiazole-4-carboxamide
PubChem CID62046160
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-cycloheptyl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1cscn1
InChIInChI=1S/C11H16N2OS/c14-11(10-7-15-8-12-10)13-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,13,14)
InChIKeyAMBIAKJXMAGRLQ-UHFFFAOYSA-N
XLogP2.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cycloheptyl-1,3-thiazole-4-carboxamide (CID 62046160) is N-cycloheptyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1,3-thiazole-4-carboxamide is O=C(NC1CCCCCC1)c1cscn1.
What is the InChIKey of N-cycloheptyl-1,3-thiazole-4-carboxamide?
The InChIKey is AMBIAKJXMAGRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-11(10-7-15-8-12-10)13-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,13,14).
What are the key properties of N-cycloheptyl-1,3-thiazole-4-carboxamide?
N-cycloheptyl-1,3-thiazole-4-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62046160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).