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

C22H22N4OS — CID 135097209

IUPAC(4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
SMILESCc1ncsc1C(=O)N1CCCC2(CCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C22H22N4OS/c1-15-18(28-14-24-15)21(27)26-11-5-9-22(13-26)10-8-17-12-23-20(25-19(17)22)16-6-3-2-4-7-16/h2-4,6-7,12,14H,5,8-11,13H2,1H3
InChIKeyXKHNNRHELHPAPK-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.03
Rot. Bonds2

About (4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

(4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone (PubChem CID 135097209) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
PubChem CID135097209
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
SMILESCc1ncsc1C(=O)N1CCCC2(CCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C22H22N4OS/c1-15-18(28-14-24-15)21(27)26-11-5-9-22(13-26)10-8-17-12-23-20(25-19(17)22)16-6-3-2-4-7-16/h2-4,6-7,12,14H,5,8-11,13H2,1H3
InChIKeyXKHNNRHELHPAPK-UHFFFAOYSA-N
XLogP4.03
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-5-yl)methanone
CID 163318918
(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
1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-pyridin-3-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155492991
(5-methyl-1-propan-2-ylpyrazol-3-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163317195
4-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-2-one
CID 163314669
N,N-dimethyl-4-oxo-4-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)butanamide
CID 163317731
N-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]methanesulfonamide
CID 135106933
[2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135105379
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(3-methylthiophen-2-yl)methanone
CID 135087912
5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one
CID 163313043
1,3-benzothiazol-6-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135108669

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone (CID 135097209) is (4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone is Cc1ncsc1C(=O)N1CCCC2(CCc3cnc(-c4ccccc4)nc32)C1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
The InChIKey is XKHNNRHELHPAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-15-18(28-14-24-15)21(27)26-11-5-9-22(13-26)10-8-17-12-23-20(25-19(17)22)16-6-3-2-4-7-16/h2-4,6-7,12,14H,5,8-11,13H2,1H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
(4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone has a molecular weight of 390.51 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 135097209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).