4-[2,5-dimethyl-3-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one

C25H29N5O2S — CID 2110290

IUPAC4-[2,5-dimethyl-3-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1cc(-c2csc(NC[C@H]3CCCO3)n2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C25H29N5O2S/c1-16-13-21(22-15-33-25(27-22)26-14-20-11-8-12-32-20)17(2)29(16)23-18(3)28(4)30(24(23)31)19-9-6-5-7-10-19/h5-7,9-10,13,15,20H,8,11-12,14H2,1-4H3,(H,26,27)/t20-/m1/s1
InChIKeyYFZHFVLXIWAXEE-HXUWFJFHSA-N
MW463.61 g/mol
LogP4.61
Rot. Bonds6

About 4-[2,5-dimethyl-3-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[2,5-dimethyl-3-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 2110290) has the molecular formula C25H29N5O2S and a molecular weight of 463.61 g/mol. Its IUPAC name is 4-[2,5-dimethyl-3-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[2,5-dimethyl-3-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID2110290
Molecular FormulaC25H29N5O2S
Molecular Weight463.61 g/mol
Exact Mass463.20
IUPAC Name4-[2,5-dimethyl-3-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1cc(-c2csc(NC[C@H]3CCCO3)n2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C25H29N5O2S/c1-16-13-21(22-15-33-25(27-22)26-14-20-11-8-12-32-20)17(2)29(16)23-18(3)28(4)30(24(23)31)19-9-6-5-7-10-19/h5-7,9-10,13,15,20H,8,11-12,14H2,1-4H3,(H,26,27)/t20-/m1/s1
InChIKeyYFZHFVLXIWAXEE-HXUWFJFHSA-N
XLogP4.61
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2,5-dimethyl-3-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one with MolForge

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Related Compounds

4-[2,5-dimethyl-3-[2-(oxolan-2-ylmethylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 3953146
4-[2,5-dimethyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 8878341
4-[2,5-dimethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 42998335
4-[3-(2-benzyl-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 24505670
N-benzyl-4-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-1,3-thiazol-2-amine
CID 2511300
4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 4876834
4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 9292151
4-(3-methyl-1-benzofuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 41143854
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273850
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[(2S)-oxolan-2-yl]methylamino]propanamide
CID 2533709
N-[4-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16597913
3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24686742

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dimethyl-3-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[2,5-dimethyl-3-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 2110290) is 4-[2,5-dimethyl-3-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[2,5-dimethyl-3-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[2,5-dimethyl-3-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1cc(-c2csc(NC[C@H]3CCCO3)n2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 4-[2,5-dimethyl-3-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is YFZHFVLXIWAXEE-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H29N5O2S/c1-16-13-21(22-15-33-25(27-22)26-14-20-11-8-12-32-20)17(2)29(16)23-18(3)28(4)30(24(23)31)19-9-6-5-7-10-19/h5-7,9-10,13,15,20H,8,11-12,14H2,1-4H3,(H,26,27)/t20-/m1/s1.
What are the key properties of 4-[2,5-dimethyl-3-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[2,5-dimethyl-3-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 463.61 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dimethyl-3-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 2110290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).