1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone

C13H20N2OS — CID 116557313

IUPAC1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
SMILESCc1nc(CC(=O)C2CCC(N)CC2)sc1C
InChIInChI=1S/C13H20N2OS/c1-8-9(2)17-13(15-8)7-12(16)10-3-5-11(14)6-4-10/h10-11H,3-7,14H2,1-2H3
InChIKeyQPNMMZFYMIOKMW-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.39
Rot. Bonds3

About 1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone

1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone (PubChem CID 116557313) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
PubChem CID116557313
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
SMILESCc1nc(CC(=O)C2CCC(N)CC2)sc1C
InChIInChI=1S/C13H20N2OS/c1-8-9(2)17-13(15-8)7-12(16)10-3-5-11(14)6-4-10/h10-11H,3-7,14H2,1-2H3
InChIKeyQPNMMZFYMIOKMW-UHFFFAOYSA-N
XLogP2.39
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,4-Difluorocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 113683007
4-(4,5-Dimethyl-1,3-thiazol-2-yl)cyclohexan-1-one
CID 116987123
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one
CID 147704337
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(3R)-1-propan-2-ylpiperidin-3-yl]propan-2-one
CID 147704338
4-[(2,4-Dimethyl-1,3-thiazol-5-yl)methylamino]cyclohexane-1-carboxamide
CID 64539327
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-1-(4-propylcyclohexyl)ethanone
CID 80302838
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 80303317
1-Cyclohexyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 80303763
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-1-(4-ethylcyclohexyl)ethanone
CID 80304035
1-[1-(Dimethylamino)cyclohexyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 80304045
1-(4,4-Dimethylcyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 80304228
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-1-(3-ethylcyclohexyl)ethanone
CID 80304230

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone (CID 116557313) is 1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone is Cc1nc(CC(=O)C2CCC(N)CC2)sc1C.
What is the InChIKey of 1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is QPNMMZFYMIOKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-8-9(2)17-13(15-8)7-12(16)10-3-5-11(14)6-4-10/h10-11H,3-7,14H2,1-2H3.
What are the key properties of 1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 252.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 116557313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).