N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]cyclohexanecarboxamide

C14H19N3OS — CID 5310431

IUPACN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]cyclohexanecarboxamide
SMILESCc1csc2nc(CNC(=O)C3CCCCC3)cn12
InChIInChI=1S/C14H19N3OS/c1-10-9-19-14-16-12(8-17(10)14)7-15-13(18)11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3,(H,15,18)
InChIKeyPCWGEJHYUMRNAI-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.90
Rot. Bonds3

About N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]cyclohexanecarboxamide

N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]cyclohexanecarboxamide (PubChem CID 5310431) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]cyclohexanecarboxamide
PubChem CID5310431
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]cyclohexanecarboxamide
SMILESCc1csc2nc(CNC(=O)C3CCCCC3)cn12
InChIInChI=1S/C14H19N3OS/c1-10-9-19-14-16-12(8-17(10)14)7-15-13(18)11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3,(H,15,18)
InChIKeyPCWGEJHYUMRNAI-UHFFFAOYSA-N
XLogP2.90
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]cyclohexanecarboxamide (CID 5310431) is N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]cyclohexanecarboxamide is Cc1csc2nc(CNC(=O)C3CCCCC3)cn12.
What is the InChIKey of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]cyclohexanecarboxamide?
The InChIKey is PCWGEJHYUMRNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-9-19-14-16-12(8-17(10)14)7-15-13(18)11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3,(H,15,18).
What are the key properties of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]cyclohexanecarboxamide?
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]cyclohexanecarboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 5310431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).