N-[(2S)-3-methylbutan-2-yl]-2-[7-methyl-6-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

C27H33N5O2S — CID 93125627

IUPACN-[(2S)-3-methylbutan-2-yl]-2-[7-methyl-6-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
SMILESCc1nc2scc(CC(=O)N[C@@H](C)C(C)C)n2c(=O)c1-c1cc(C)n(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C27H33N5O2S/c1-15(2)18(6)28-24(33)13-22-14-35-27-29-19(7)25(26(34)31(22)27)23-12-17(5)32(30-23)21-10-8-20(9-11-21)16(3)4/h8-12,14-16,18H,13H2,1-7H3,(H,28,33)/t18-/m0/s1
InChIKeySBPPBTSBKUYTQE-SFHVURJKSA-N
MW491.66 g/mol
LogP5.05
Rot. Bonds7

About N-[(2S)-3-methylbutan-2-yl]-2-[7-methyl-6-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

N-[(2S)-3-methylbutan-2-yl]-2-[7-methyl-6-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (PubChem CID 93125627) has the molecular formula C27H33N5O2S and a molecular weight of 491.66 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-2-[7-methyl-6-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-2-[7-methyl-6-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
PubChem CID93125627
Molecular FormulaC27H33N5O2S
Molecular Weight491.66 g/mol
Exact Mass491.24
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-2-[7-methyl-6-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
SMILESCc1nc2scc(CC(=O)N[C@@H](C)C(C)C)n2c(=O)c1-c1cc(C)n(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C27H33N5O2S/c1-15(2)18(6)28-24(33)13-22-14-35-27-29-19(7)25(26(34)31(22)27)23-12-17(5)32(30-23)21-10-8-20(9-11-21)16(3)4/h8-12,14-16,18H,13H2,1-7H3,(H,28,33)/t18-/m0/s1
InChIKeySBPPBTSBKUYTQE-SFHVURJKSA-N
XLogP5.05
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.66
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-3-methylbutan-2-yl]-2-[7-methyl-6-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-2-[7-methyl-6-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-2-[7-methyl-6-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (CID 93125627) is N-[(2S)-3-methylbutan-2-yl]-2-[7-methyl-6-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-2-[7-methyl-6-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-2-[7-methyl-6-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is Cc1nc2scc(CC(=O)N[C@@H](C)C(C)C)n2c(=O)c1-c1cc(C)n(-c2ccc(C(C)C)cc2)n1.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-2-[7-methyl-6-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The InChIKey is SBPPBTSBKUYTQE-SFHVURJKSA-N. The full InChI is InChI=1S/C27H33N5O2S/c1-15(2)18(6)28-24(33)13-22-14-35-27-29-19(7)25(26(34)31(22)27)23-12-17(5)32(30-23)21-10-8-20(9-11-21)16(3)4/h8-12,14-16,18H,13H2,1-7H3,(H,28,33)/t18-/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-2-[7-methyl-6-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
N-[(2S)-3-methylbutan-2-yl]-2-[7-methyl-6-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide has a molecular weight of 491.66 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylbutan-2-yl]-2-[7-methyl-6-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 93125627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).