(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

C18H25N5OS — CID 128997968

IUPAC(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
SMILESCc1c([C@H]2[C@H](CNCc3nc4c(s3)CCC4)CC(=O)N2C)cnn1C
InChIInChI=1S/C18H25N5OS/c1-11-13(9-20-23(11)3)18-12(7-17(24)22(18)2)8-19-10-16-21-14-5-4-6-15(14)25-16/h9,12,18-19H,4-8,10H2,1-3H3/t12-,18+/m0/s1
InChIKeyJEONPLIDPITNLD-KPZWWZAWSA-N
MW359.50 g/mol
LogP1.98
Rot. Bonds5

About (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

(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 (PubChem CID 128997968) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID128997968
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name(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
SMILESCc1c([C@H]2[C@H](CNCc3nc4c(s3)CCC4)CC(=O)N2C)cnn1C
InChIInChI=1S/C18H25N5OS/c1-11-13(9-20-23(11)3)18-12(7-17(24)22(18)2)8-19-10-16-21-14-5-4-6-15(14)25-16/h9,12,18-19H,4-8,10H2,1-3H3/t12-,18+/m0/s1
InChIKeyJEONPLIDPITNLD-KPZWWZAWSA-N
XLogP1.98
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(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
(4R,5S)-4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
CID 128998217
(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)-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
(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
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128992917
1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-[(1S,2S)-2-phenylcyclobutyl]urea
CID 164639750
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1c([C@H]2[C@H](CNCc3nc4c(s3)CCC4)CC(=O)N2C)cnn1C.
What is the InChIKey of (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?
The InChIKey is JEONPLIDPITNLD-KPZWWZAWSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-11-13(9-20-23(11)3)18-12(7-17(24)22(18)2)8-19-10-16-21-14-5-4-6-15(14)25-16/h9,12,18-19H,4-8,10H2,1-3H3/t12-,18+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 359.50 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 128997968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).