N-[1-(hydroxymethyl)cyclohexyl]-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

C15H21N3O2S — CID 62521465

IUPACN-[1-(hydroxymethyl)cyclohexyl]-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCc1cn2c(CC(=O)NC3(CO)CCCCC3)csc2n1
InChIInChI=1S/C15H21N3O2S/c1-11-8-18-12(9-21-14(18)16-11)7-13(20)17-15(10-19)5-3-2-4-6-15/h8-9,19H,2-7,10H2,1H3,(H,17,20)
InChIKeyXECKGAPMPALDFD-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.06
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclohexyl]-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide

N-[1-(hydroxymethyl)cyclohexyl]-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (PubChem CID 62521465) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
PubChem CID62521465
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
SMILESCc1cn2c(CC(=O)NC3(CO)CCCCC3)csc2n1
InChIInChI=1S/C15H21N3O2S/c1-11-8-18-12(9-21-14(18)16-11)7-13(20)17-15(10-19)5-3-2-4-6-15/h8-9,19H,2-7,10H2,1H3,(H,17,20)
InChIKeyXECKGAPMPALDFD-UHFFFAOYSA-N
XLogP2.06
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide (CID 62521465) is N-[1-(hydroxymethyl)cyclohexyl]-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is Cc1cn2c(CC(=O)NC3(CO)CCCCC3)csc2n1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
The InChIKey is XECKGAPMPALDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11-8-18-12(9-21-14(18)16-11)7-13(20)17-15(10-19)5-3-2-4-6-15/h8-9,19H,2-7,10H2,1H3,(H,17,20).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide?
N-[1-(hydroxymethyl)cyclohexyl]-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide has a molecular weight of 307.42 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide is sourced from PubChem (CID 62521465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).