(4S,5R)-1-methyl-4-(1,3-thiazol-2-ylamino)-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one

C14H19N5OS — CID 136589092

IUPAC(4S,5R)-1-methyl-4-(1,3-thiazol-2-ylamino)-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1[C@@H]1[C@@H](Nc2nccs2)CC(=O)N1C
InChIInChI=1S/C14H19N5OS/c1-8-12(9(2)19(4)17-8)13-10(7-11(20)18(13)3)16-14-15-5-6-21-14/h5-6,10,13H,7H2,1-4H3,(H,15,16)/t10-,13-/m0/s1
InChIKeyLJLAMHAMUCPNGH-GWCFXTLKSA-N
MW305.41 g/mol
LogP1.88
Rot. Bonds3

About (4S,5R)-1-methyl-4-(1,3-thiazol-2-ylamino)-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one

(4S,5R)-1-methyl-4-(1,3-thiazol-2-ylamino)-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 136589092) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is (4S,5R)-1-methyl-4-(1,3-thiazol-2-ylamino)-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-1-methyl-4-(1,3-thiazol-2-ylamino)-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID136589092
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name(4S,5R)-1-methyl-4-(1,3-thiazol-2-ylamino)-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1[C@@H]1[C@@H](Nc2nccs2)CC(=O)N1C
InChIInChI=1S/C14H19N5OS/c1-8-12(9(2)19(4)17-8)13-10(7-11(20)18(13)3)16-14-15-5-6-21-14/h5-6,10,13H,7H2,1-4H3,(H,15,16)/t10-,13-/m0/s1
InChIKeyLJLAMHAMUCPNGH-GWCFXTLKSA-N
XLogP1.88
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S,5R)-1-methyl-4-(1,3-thiazol-2-ylamino)-5-(1,3,5-trimethylpyrazol-4-yl)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

N-(1,3-thiazol-2-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56780709
N-{[2-(1-pyrrolidinyl)-1,3-thiazol-4-yl]methyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 70779660
N-methyl-N-(1,3-thiazol-2-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 72043889
3-{isopropyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-N-1,3-thiazol-2-ylpropanamide
CID 50954475
N-(1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41527366
(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]pyrrolidin-2-one
CID 127957710
N-(1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 41527367
2-[2-(3,5-Dimethyl-4-pentyl-1H-pyrazol-1-YL)-1,3-thiazol-4-YL]-N-(1,3-thiazol-2-YL)acetamide
CID 46269633
2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 72141594
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 8497650
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 22196609
N-(5-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24575357

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-methyl-4-(1,3-thiazol-2-ylamino)-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (4S,5R)-1-methyl-4-(1,3-thiazol-2-ylamino)-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (CID 136589092) is (4S,5R)-1-methyl-4-(1,3-thiazol-2-ylamino)-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-1-methyl-4-(1,3-thiazol-2-ylamino)-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (4S,5R)-1-methyl-4-(1,3-thiazol-2-ylamino)-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one is Cc1nn(C)c(C)c1[C@@H]1[C@@H](Nc2nccs2)CC(=O)N1C.
What is the InChIKey of (4S,5R)-1-methyl-4-(1,3-thiazol-2-ylamino)-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is LJLAMHAMUCPNGH-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-8-12(9(2)19(4)17-8)13-10(7-11(20)18(13)3)16-14-15-5-6-21-14/h5-6,10,13H,7H2,1-4H3,(H,15,16)/t10-,13-/m0/s1.
What are the key properties of (4S,5R)-1-methyl-4-(1,3-thiazol-2-ylamino)-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
(4S,5R)-1-methyl-4-(1,3-thiazol-2-ylamino)-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 305.41 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1-methyl-4-(1,3-thiazol-2-ylamino)-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 136589092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).