7-pentyl-8-(piperidin-1-ylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C17H28N4OS — CID 4975036

IUPAC7-pentyl-8-(piperidin-1-ylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCCc1c(NN2CCCCC2)nc2n(c1=O)CCCS2
InChIInChI=1S/C17H28N4OS/c1-2-3-5-9-14-15(19-20-10-6-4-7-11-20)18-17-21(16(14)22)12-8-13-23-17/h19H,2-13H2,1H3
InChIKeyRLOPWDHNIVTEAY-UHFFFAOYSA-N
MW336.51 g/mol
LogP3.28
Rot. Bonds6

About 7-pentyl-8-(piperidin-1-ylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

7-pentyl-8-(piperidin-1-ylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 4975036) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is 7-pentyl-8-(piperidin-1-ylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name7-pentyl-8-(piperidin-1-ylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID4975036
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC Name7-pentyl-8-(piperidin-1-ylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCCc1c(NN2CCCCC2)nc2n(c1=O)CCCS2
InChIInChI=1S/C17H28N4OS/c1-2-3-5-9-14-15(19-20-10-6-4-7-11-20)18-17-21(16(14)22)12-8-13-23-17/h19H,2-13H2,1H3
InChIKeyRLOPWDHNIVTEAY-UHFFFAOYSA-N
XLogP3.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-pentyl-8-(piperidin-1-ylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 7-pentyl-8-(piperidin-1-ylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 4975036) is 7-pentyl-8-(piperidin-1-ylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 7-pentyl-8-(piperidin-1-ylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 7-pentyl-8-(piperidin-1-ylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is CCCCCc1c(NN2CCCCC2)nc2n(c1=O)CCCS2.
What is the InChIKey of 7-pentyl-8-(piperidin-1-ylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is RLOPWDHNIVTEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-2-3-5-9-14-15(19-20-10-6-4-7-11-20)18-17-21(16(14)22)12-8-13-23-17/h19H,2-13H2,1H3.
What are the key properties of 7-pentyl-8-(piperidin-1-ylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
7-pentyl-8-(piperidin-1-ylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 336.51 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentyl-8-(piperidin-1-ylamino)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 4975036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).