1'-[(2-amino-1,3-thiazol-5-yl)methyl]-2-tert-butylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

C19H27N5OS — CID 157015465

IUPAC1'-[(2-amino-1,3-thiazol-5-yl)methyl]-2-tert-butylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCC(C)(C)c1nc2c(c(=O)[nH]1)CCC21CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C19H27N5OS/c1-18(2,3)16-22-14-13(15(25)23-16)4-5-19(14)6-8-24(9-7-19)11-12-10-21-17(20)26-12/h10H,4-9,11H2,1-3H3,(H2,20,21)(H,22,23,25)
InChIKeyXHFKKLQYMFAREB-UHFFFAOYSA-N
MW373.53 g/mol
LogP2.59
Rot. Bonds2

About 1'-[(2-amino-1,3-thiazol-5-yl)methyl]-2-tert-butylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

1'-[(2-amino-1,3-thiazol-5-yl)methyl]-2-tert-butylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 157015465) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is 1'-[(2-amino-1,3-thiazol-5-yl)methyl]-2-tert-butylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[(2-amino-1,3-thiazol-5-yl)methyl]-2-tert-butylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID157015465
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC Name1'-[(2-amino-1,3-thiazol-5-yl)methyl]-2-tert-butylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCC(C)(C)c1nc2c(c(=O)[nH]1)CCC21CCN(Cc2cnc(N)s2)CC1
InChIInChI=1S/C19H27N5OS/c1-18(2,3)16-22-14-13(15(25)23-16)4-5-19(14)6-8-24(9-7-19)11-12-10-21-17(20)26-12/h10H,4-9,11H2,1-3H3,(H2,20,21)(H,22,23,25)
InChIKeyXHFKKLQYMFAREB-UHFFFAOYSA-N
XLogP2.59
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1'-[(2-amino-1,3-thiazol-5-yl)methyl]-2-tert-butylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one with MolForge

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Related Compounds

2-tert-butyl-1'-[3-(1,2,4-triazol-4-yl)propanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155493449
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163
2-tert-butyl-1'-(5-methyl-1,2-oxazole-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155506176
2-tert-butyl-1'-[(2S)-2-hydroxy-3-phenylpropanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156584164
1'-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptane-2-carbonyl]-2-tert-butylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155505544
2-tert-butyl-1'-(1-methylpiperidine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155501178
2-(2-tert-butyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-carbonyl)benzonitrile
CID 155505007
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899501
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899612
2-tert-butyl-1'-(2-methyl-3-pyrazol-1-ylpropanoyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155505128
1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 120902084
1-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-5-one;hydrochloride
CID 120899996

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-amino-1,3-thiazol-5-yl)methyl]-2-tert-butylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 1'-[(2-amino-1,3-thiazol-5-yl)methyl]-2-tert-butylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 157015465) is 1'-[(2-amino-1,3-thiazol-5-yl)methyl]-2-tert-butylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[(2-amino-1,3-thiazol-5-yl)methyl]-2-tert-butylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 1'-[(2-amino-1,3-thiazol-5-yl)methyl]-2-tert-butylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is CC(C)(C)c1nc2c(c(=O)[nH]1)CCC21CCN(Cc2cnc(N)s2)CC1.
What is the InChIKey of 1'-[(2-amino-1,3-thiazol-5-yl)methyl]-2-tert-butylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is XHFKKLQYMFAREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-18(2,3)16-22-14-13(15(25)23-16)4-5-19(14)6-8-24(9-7-19)11-12-10-21-17(20)26-12/h10H,4-9,11H2,1-3H3,(H2,20,21)(H,22,23,25).
What are the key properties of 1'-[(2-amino-1,3-thiazol-5-yl)methyl]-2-tert-butylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
1'-[(2-amino-1,3-thiazol-5-yl)methyl]-2-tert-butylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 373.53 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-amino-1,3-thiazol-5-yl)methyl]-2-tert-butylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 157015465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).