3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]-1-morpholin-4-ylpropan-1-one

C16H25N3O2S — CID 71983366

IUPAC3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]-1-morpholin-4-ylpropan-1-one
SMILESCc1csc(C2(NCCC(=O)N3CCOCC3)CCCC2)n1
InChIInChI=1S/C16H25N3O2S/c1-13-12-22-15(18-13)16(5-2-3-6-16)17-7-4-14(20)19-8-10-21-11-9-19/h12,17H,2-11H2,1H3
InChIKeyBFNJOPSHXOEZCI-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.06
Rot. Bonds5

About 3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]-1-morpholin-4-ylpropan-1-one

3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 71983366) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]-1-morpholin-4-ylpropan-1-one
PubChem CID71983366
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]-1-morpholin-4-ylpropan-1-one
SMILESCc1csc(C2(NCCC(=O)N3CCOCC3)CCCC2)n1
InChIInChI=1S/C16H25N3O2S/c1-13-12-22-15(18-13)16(5-2-3-6-16)17-7-4-14(20)19-8-10-21-11-9-19/h12,17H,2-11H2,1H3
InChIKeyBFNJOPSHXOEZCI-UHFFFAOYSA-N
XLogP2.06
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]-1-morpholin-4-ylpropan-1-one (CID 71983366) is 3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]-1-morpholin-4-ylpropan-1-one is Cc1csc(C2(NCCC(=O)N3CCOCC3)CCCC2)n1.
What is the InChIKey of 3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is BFNJOPSHXOEZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-13-12-22-15(18-13)16(5-2-3-6-16)17-7-4-14(20)19-8-10-21-11-9-19/h12,17H,2-11H2,1H3.
What are the key properties of 3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]-1-morpholin-4-ylpropan-1-one?
3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 323.46 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 71983366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).