1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone

C23H24N4OS — CID 135120730

IUPAC1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
SMILESCc1ncc2c(n1)C1(CCCN(C(=O)Cc3csc(-c4ccccc4)n3)C1)CC2
InChIInChI=1S/C23H24N4OS/c1-16-24-13-18-8-10-23(21(18)25-16)9-5-11-27(15-23)20(28)12-19-14-29-22(26-19)17-6-3-2-4-7-17/h2-4,6-7,13-14H,5,8-12,15H2,1H3
InChIKeyOQRZJHFCXGMPNE-UHFFFAOYSA-N
MW404.54 g/mol
LogP3.96
Rot. Bonds3

About 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone

1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone (PubChem CID 135120730) has the molecular formula C23H24N4OS and a molecular weight of 404.54 g/mol. Its IUPAC name is 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
PubChem CID135120730
Molecular FormulaC23H24N4OS
Molecular Weight404.54 g/mol
Exact Mass404.17
IUPAC Name1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
SMILESCc1ncc2c(n1)C1(CCCN(C(=O)Cc3csc(-c4ccccc4)n3)C1)CC2
InChIInChI=1S/C23H24N4OS/c1-16-24-13-18-8-10-23(21(18)25-16)9-5-11-27(15-23)20(28)12-19-14-29-22(26-19)17-6-3-2-4-7-17/h2-4,6-7,13-14H,5,8-12,15H2,1H3
InChIKeyOQRZJHFCXGMPNE-UHFFFAOYSA-N
XLogP3.96
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135118382
2-ethylsulfanyl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 135098088
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 135111394
(5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135116258
2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 163309039
(3R)-3-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 99815343
(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
CID 135088689
2-(2-cyclopropylbenzimidazol-1-yl)-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 135104687
cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163313837
N-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]methanesulfonamide
CID 135106933
N,N-dimethyl-4-oxo-4-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)butanamide
CID 163317731
1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one
CID 135116264

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone (CID 135120730) is 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone is Cc1ncc2c(n1)C1(CCCN(C(=O)Cc3csc(-c4ccccc4)n3)C1)CC2.
What is the InChIKey of 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is OQRZJHFCXGMPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS/c1-16-24-13-18-8-10-23(21(18)25-16)9-5-11-27(15-23)20(28)12-19-14-29-22(26-19)17-6-3-2-4-7-17/h2-4,6-7,13-14H,5,8-12,15H2,1H3.
What are the key properties of 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone?
1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 404.54 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 135120730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).