(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-5-yl)methanone

C21H20N4OS — CID 163318918

IUPAC(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCCC2(CCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C21H20N4OS/c26-20(17-12-22-14-27-17)25-10-4-8-21(13-25)9-7-16-11-23-19(24-18(16)21)15-5-2-1-3-6-15/h1-3,5-6,11-12,14H,4,7-10,13H2
InChIKeySUCDZWFJLHZEJA-UHFFFAOYSA-N
MW376.49 g/mol
LogP3.72
Rot. Bonds2

About (2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-5-yl)methanone

(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-5-yl)methanone (PubChem CID 163318918) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is (2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-5-yl)methanone
PubChem CID163318918
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCCC2(CCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C21H20N4OS/c26-20(17-12-22-14-27-17)25-10-4-8-21(13-25)9-7-16-11-23-19(24-18(16)21)15-5-2-1-3-6-15/h1-3,5-6,11-12,14H,4,7-10,13H2
InChIKeySUCDZWFJLHZEJA-UHFFFAOYSA-N
XLogP3.72
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135097209
(1-methylcyclopropyl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135098601
2-amino-2-methyl-1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)propan-1-one
CID 135098790
4-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-2-one
CID 163314669
1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one
CID 135116264
[2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135105379
(5-methyl-1-propan-2-ylpyrazol-3-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163317195
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-pyrazol-1-ylpropan-1-one
CID 135091787
5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one
CID 163313043
1-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]pyrimidin-2-one
CID 135120450

Frequently Asked Questions

What is the IUPAC name of (2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-5-yl)methanone?
The IUPAC name of (2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-5-yl)methanone (CID 163318918) is (2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for (2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-5-yl)methanone is O=C(c1cncs1)N1CCCC2(CCc3cnc(-c4ccccc4)nc32)C1.
What is the InChIKey of (2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-5-yl)methanone?
The InChIKey is SUCDZWFJLHZEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c26-20(17-12-22-14-27-17)25-10-4-8-21(13-25)9-7-16-11-23-19(24-18(16)21)15-5-2-1-3-6-15/h1-3,5-6,11-12,14H,4,7-10,13H2.
What are the key properties of (2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-5-yl)methanone?
(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-5-yl)methanone has a molecular weight of 376.49 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 163318918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).