N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide

C19H27N5O2S — CID 20893232

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
SMILESCCCc1cc(=O)n2nc(N(C)CC(=O)NCCC3=CCCCC3)sc2n1
InChIInChI=1S/C19H27N5O2S/c1-3-7-15-12-17(26)24-18(21-15)27-19(22-24)23(2)13-16(25)20-11-10-14-8-5-4-6-9-14/h8,12H,3-7,9-11,13H2,1-2H3,(H,20,25)
InChIKeyHFEABGKRYIIRCU-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.55
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (PubChem CID 20893232) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
PubChem CID20893232
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
SMILESCCCc1cc(=O)n2nc(N(C)CC(=O)NCCC3=CCCCC3)sc2n1
InChIInChI=1S/C19H27N5O2S/c1-3-7-15-12-17(26)24-18(21-15)27-19(22-24)23(2)13-16(25)20-11-10-14-8-5-4-6-9-14/h8,12H,3-7,9-11,13H2,1-2H3,(H,20,25)
InChIKeyHFEABGKRYIIRCU-UHFFFAOYSA-N
XLogP2.55
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (CID 20893232) is N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is CCCc1cc(=O)n2nc(N(C)CC(=O)NCCC3=CCCCC3)sc2n1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The InChIKey is HFEABGKRYIIRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-3-7-15-12-17(26)24-18(21-15)27-19(22-24)23(2)13-16(25)20-11-10-14-8-5-4-6-9-14/h8,12H,3-7,9-11,13H2,1-2H3,(H,20,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide has a molecular weight of 389.53 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 20893232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).