3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide

C19H31N3O2S — CID 29225792

IUPAC3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
SMILESCc1csc(=O)n1CCC(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C19H31N3O2S/c1-16-14-25-18(24)22(16)13-8-17(23)20-15-19(9-4-2-5-10-19)21-11-6-3-7-12-21/h14H,2-13,15H2,1H3,(H,20,23)
InChIKeyAAOHQWXRYZTYJX-UHFFFAOYSA-N
MW365.54 g/mol
LogP2.91
Rot. Bonds6

About 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide (PubChem CID 29225792) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
PubChem CID29225792
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
SMILESCc1csc(=O)n1CCC(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C19H31N3O2S/c1-16-14-25-18(24)22(16)13-8-17(23)20-15-19(9-4-2-5-10-19)21-11-6-3-7-12-21/h14H,2-13,15H2,1H3,(H,20,23)
InChIKeyAAOHQWXRYZTYJX-UHFFFAOYSA-N
XLogP2.91
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide (CID 29225792) is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide is Cc1csc(=O)n1CCC(=O)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
The InChIKey is AAOHQWXRYZTYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-16-14-25-18(24)22(16)13-8-17(23)20-15-19(9-4-2-5-10-19)21-11-6-3-7-12-21/h14H,2-13,15H2,1H3,(H,20,23).
What are the key properties of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide?
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide has a molecular weight of 365.54 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 29225792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).