N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide

C14H21N3O2S — CID 104678293

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide
SMILESCC(=O)c1csc(NC(=O)CC2(CN)CCCCC2)n1
InChIInChI=1S/C14H21N3O2S/c1-10(18)11-8-20-13(16-11)17-12(19)7-14(9-15)5-3-2-4-6-14/h8H,2-7,9,15H2,1H3,(H,16,17,19)
InChIKeyQDHFMCVNXSIXNX-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.58
Rot. Bonds5

About N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide

N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide (PubChem CID 104678293) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide
PubChem CID104678293
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide
SMILESCC(=O)c1csc(NC(=O)CC2(CN)CCCCC2)n1
InChIInChI=1S/C14H21N3O2S/c1-10(18)11-8-20-13(16-11)17-12(19)7-14(9-15)5-3-2-4-6-14/h8H,2-7,9,15H2,1H3,(H,16,17,19)
InChIKeyQDHFMCVNXSIXNX-UHFFFAOYSA-N
XLogP2.58
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide (CID 104678293) is N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide is CC(=O)c1csc(NC(=O)CC2(CN)CCCCC2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide?
The InChIKey is QDHFMCVNXSIXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10(18)11-8-20-13(16-11)17-12(19)7-14(9-15)5-3-2-4-6-14/h8H,2-7,9,15H2,1H3,(H,16,17,19).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide has a molecular weight of 295.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide is sourced from PubChem (CID 104678293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).