N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide

C18H27N3O2S — CID 45224701

IUPACN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)NC1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C18H27N3O2S/c1-13-16(24-12-19-13)8-9-17(22)20-14-10-18(23)21(11-14)15-6-4-2-3-5-7-15/h12,14-15H,2-11H2,1H3,(H,20,22)
InChIKeyFTRMEKSSFXHGFC-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.82
Rot. Bonds5

About N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide

N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 45224701) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID45224701
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1CCC(=O)NC1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C18H27N3O2S/c1-13-16(24-12-19-13)8-9-17(22)20-14-10-18(23)21(11-14)15-6-4-2-3-5-7-15/h12,14-15H,2-11H2,1H3,(H,20,22)
InChIKeyFTRMEKSSFXHGFC-UHFFFAOYSA-N
XLogP2.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 45224701) is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide is Cc1ncsc1CCC(=O)NC1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is FTRMEKSSFXHGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-13-16(24-12-19-13)8-9-17(22)20-14-10-18(23)21(11-14)15-6-4-2-3-5-7-15/h12,14-15H,2-11H2,1H3,(H,20,22).
What are the key properties of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 349.50 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 45224701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).