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

C14H21N3O2S — CID 813891

IUPAC2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)N(CC(=O)Nc1nc(C)cs1)C1CCCCC1
InChIInChI=1S/C14H21N3O2S/c1-10-9-20-14(15-10)16-13(19)8-17(11(2)18)12-6-4-3-5-7-12/h9,12H,3-8H2,1-2H3,(H,15,16,19)
InChIKeyFKDIBGZYZGTMSC-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.57
Rot. Bonds4

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

2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 813891) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID813891
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)N(CC(=O)Nc1nc(C)cs1)C1CCCCC1
InChIInChI=1S/C14H21N3O2S/c1-10-9-20-14(15-10)16-13(19)8-17(11(2)18)12-6-4-3-5-7-12/h9,12H,3-8H2,1-2H3,(H,15,16,19)
InChIKeyFKDIBGZYZGTMSC-UHFFFAOYSA-N
XLogP2.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-cyclohexyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4291757
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 61233173
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4550149
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119922868
trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide
CID 52526965
1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
3-cyclopentyl-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42771431
N-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-2-yl)acetamide
CID 110678002
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 116652439
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide
CID 7437002
N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 44997302

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 813891) is 2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is CC(=O)N(CC(=O)Nc1nc(C)cs1)C1CCCCC1.
What is the InChIKey of 2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is FKDIBGZYZGTMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10-9-20-14(15-10)16-13(19)8-17(11(2)18)12-6-4-3-5-7-12/h9,12H,3-8H2,1-2H3,(H,15,16,19).
What are the key properties of 2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 295.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 813891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).