2-(2-amino-1,3-thiazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide

C12H19N3O2S — CID 106361462

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
SMILESNc1nc(CC(=O)NC2CCCCC2CO)cs1
InChIInChI=1S/C12H19N3O2S/c13-12-14-9(7-18-12)5-11(17)15-10-4-2-1-3-8(10)6-16/h7-8,10,16H,1-6H2,(H2,13,14)(H,15,17)
InChIKeyIWLLAYUENHFNDU-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.94
Rot. Bonds4

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

2-(2-amino-1,3-thiazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide (PubChem CID 106361462) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
PubChem CID106361462
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
SMILESNc1nc(CC(=O)NC2CCCCC2CO)cs1
InChIInChI=1S/C12H19N3O2S/c13-12-14-9(7-18-12)5-11(17)15-10-4-2-1-3-8(10)6-16/h7-8,10,16H,1-6H2,(H2,13,14)(H,15,17)
InChIKeyIWLLAYUENHFNDU-UHFFFAOYSA-N
XLogP0.94
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-acetamidothiazol-4-yl)-N-(cyclohexylmethyl)acetamide
CID 44016029
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 62798726
2-(2-amino-1,3-thiazol-4-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 62799777
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 62799959
2-(2-amino-1,3-thiazol-4-yl)-2,2-difluoro-N-(2-pentan-3-yloxan-4-yl)acetamide
CID 138048269
N-(cyclohexylmethyl)-2-(2-(3-cyclohexylureido)thiazol-4-yl)acetamide
CID 20930030
2-(2-amino-1,3-thiazol-4-yl)-N-(cyclohexylmethyl)acetamide
CID 62799232
Methyl (4-(2-((cyclohexylmethyl)amino)-2-oxoethyl)thiazol-2-yl)carbamate
CID 16883824
ethyl N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 16883951
3-[[2-[2-(Cyclohexanecarbonylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 23995839
N-(cyclohexylmethyl)-2-{2-[(cyclopentylcarbamoyl)amino]-1,3-thiazol-4-yl}acetamide
CID 27545807
N-[4-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228159

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide (CID 106361462) is 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide is Nc1nc(CC(=O)NC2CCCCC2CO)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
The InChIKey is IWLLAYUENHFNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-12-14-9(7-18-12)5-11(17)15-10-4-2-1-3-8(10)6-16/h7-8,10,16H,1-6H2,(H2,13,14)(H,15,17).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide has a molecular weight of 269.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide is sourced from PubChem (CID 106361462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).