N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide

C18H27N3O2S — CID 45210299

IUPACN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NC2CC(=O)N(C3CCCCCC3)C2)s1
InChIInChI=1S/C18H27N3O2S/c1-12-16(24-13(2)19-12)10-17(22)20-14-9-18(23)21(11-14)15-7-5-3-4-6-8-15/h14-15H,3-11H2,1-2H3,(H,20,22)
InChIKeyXVUYRRVNSIHMJH-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.74
Rot. Bonds4

About N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide

N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide (PubChem CID 45210299) 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)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
PubChem CID45210299
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NC2CC(=O)N(C3CCCCCC3)C2)s1
InChIInChI=1S/C18H27N3O2S/c1-12-16(24-13(2)19-12)10-17(22)20-14-9-18(23)21(11-14)15-7-5-3-4-6-8-15/h14-15H,3-11H2,1-2H3,(H,20,22)
InChIKeyXVUYRRVNSIHMJH-UHFFFAOYSA-N
XLogP2.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.74
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)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide (CID 45210299) is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide is Cc1nc(C)c(CC(=O)NC2CC(=O)N(C3CCCCCC3)C2)s1.
What is the InChIKey of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is XVUYRRVNSIHMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-12-16(24-13(2)19-12)10-17(22)20-14-9-18(23)21(11-14)15-7-5-3-4-6-8-15/h14-15H,3-11H2,1-2H3,(H,20,22).
What are the key properties of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 349.50 g/mol, XLogP of 2.74, 4 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)-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 45210299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).