(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylamino]methyl]pyrrolidin-2-one

C20H29N5OS — CID 129340364

IUPAC(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylamino]methyl]pyrrolidin-2-one
SMILESCc1c([C@H]2[C@H](CNCc3nc4c(s3)C[C@@H](C)CC4)CC(=O)N2C)cnn1C
InChIInChI=1S/C20H29N5OS/c1-12-5-6-16-17(7-12)27-18(23-16)11-21-9-14-8-19(26)24(3)20(14)15-10-22-25(4)13(15)2/h10,12,14,20-21H,5-9,11H2,1-4H3/t12-,14-,20+/m0/s1
InChIKeyXFIJWVDOSHEPAO-TVSHIAKJSA-N
MW387.55 g/mol
LogP2.62
Rot. Bonds5

About (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylamino]methyl]pyrrolidin-2-one

(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylamino]methyl]pyrrolidin-2-one (PubChem CID 129340364) has the molecular formula C20H29N5OS and a molecular weight of 387.55 g/mol. Its IUPAC name is (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylamino]methyl]pyrrolidin-2-one
PubChem CID129340364
Molecular FormulaC20H29N5OS
Molecular Weight387.55 g/mol
Exact Mass387.21
IUPAC Name(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylamino]methyl]pyrrolidin-2-one
SMILESCc1c([C@H]2[C@H](CNCc3nc4c(s3)C[C@@H](C)CC4)CC(=O)N2C)cnn1C
InChIInChI=1S/C20H29N5OS/c1-12-5-6-16-17(7-12)27-18(23-16)11-21-9-14-8-19(26)24(3)20(14)15-10-22-25(4)13(15)2/h10,12,14,20-21H,5-9,11H2,1-4H3/t12-,14-,20+/m0/s1
InChIKeyXFIJWVDOSHEPAO-TVSHIAKJSA-N
XLogP2.62
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylamino]methyl]pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(4S,5R)-4-[(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one
CID 128997968
(4S,5R)-4-[[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one
CID 128971848
(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(pyrimidin-2-ylamino)methyl]pyrrolidin-2-one
CID 154803434
(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[(3S)-thiolan-3-yl]amino]methyl]pyrrolidin-2-one
CID 129341535
(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-4-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]-1-methylpyrrolidin-2-one
CID 128991482
(4S,5R)-1-methyl-5-(1-methylpyrazol-4-yl)-4-[[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]methyl]pyrrolidin-2-one
CID 129005175
(4S,5R)-4-[[[(1S,6R,7S)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one
CID 129335154
(4S,5R)-4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one
CID 128992176
1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-[(1S,2S)-2-phenylcyclobutyl]urea
CID 164639750
(4R,5S)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 138015924
1-[[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 120603067
2-methyl-N-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropan-1-amine
CID 115870421

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylamino]methyl]pyrrolidin-2-one (CID 129340364) is (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylamino]methyl]pyrrolidin-2-one is Cc1c([C@H]2[C@H](CNCc3nc4c(s3)C[C@@H](C)CC4)CC(=O)N2C)cnn1C.
What is the InChIKey of (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylamino]methyl]pyrrolidin-2-one?
The InChIKey is XFIJWVDOSHEPAO-TVSHIAKJSA-N. The full InChI is InChI=1S/C20H29N5OS/c1-12-5-6-16-17(7-12)27-18(23-16)11-21-9-14-8-19(26)24(3)20(14)15-10-22-25(4)13(15)2/h10,12,14,20-21H,5-9,11H2,1-4H3/t12-,14-,20+/m0/s1.
What are the key properties of (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylamino]methyl]pyrrolidin-2-one?
(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylamino]methyl]pyrrolidin-2-one has a molecular weight of 387.55 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 129340364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).