4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-methyl-1,3-thiazole

C18H20N2S — CID 8878480

IUPAC4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2cc(C)n([C@H](C)c3ccccc3)c2C)cs1
InChIInChI=1S/C18H20N2S/c1-12-10-17(18-11-21-15(4)19-18)14(3)20(12)13(2)16-8-6-5-7-9-16/h5-11,13H,1-4H3/t13-/m1/s1
InChIKeyIKKZDKMJYJOITP-CYBMUJFWSA-N
MW296.44 g/mol
LogP5.15
Rot. Bonds3

About 4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-methyl-1,3-thiazole

4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-methyl-1,3-thiazole (PubChem CID 8878480) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-methyl-1,3-thiazole
PubChem CID8878480
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2cc(C)n([C@H](C)c3ccccc3)c2C)cs1
InChIInChI=1S/C18H20N2S/c1-12-10-17(18-11-21-15(4)19-18)14(3)20(12)13(2)16-8-6-5-7-9-16/h5-11,13H,1-4H3/t13-/m1/s1
InChIKeyIKKZDKMJYJOITP-CYBMUJFWSA-N
XLogP5.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.44
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-methyl-1,3-thiazole 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

4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3-thiazole
CID 40809026
methyl 3-[[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]amino]-3-phenylpropanoate
CID 24631892
4-[(1R)-1-phenylethyl]-3-(5-propylthiophen-3-yl)-1H-1,2,4-triazole-5-thione
CID 843619
1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea
CID 90626941
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 90626836
2-amino-5-methyl-1-(1-phenylethyl)pyrrole-3-carbonitrile
CID 102257856
4-hydroxy-6-methyl-1-(1-phenylethyl)pyridin-2-one
CID 152779627
3-(2-methyl-1,3-thiazol-4-yl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 115390154
1-[2,5-dimethyl-1-(1-phenylethyl)pyrrol-3-yl]-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 43033449
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 32543368
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 32543362
4-[(1S)-1-phenylethyl]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
CID 752428

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-methyl-1,3-thiazole (CID 8878480) is 4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-methyl-1,3-thiazole is Cc1nc(-c2cc(C)n([C@H](C)c3ccccc3)c2C)cs1.
What is the InChIKey of 4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-methyl-1,3-thiazole?
The InChIKey is IKKZDKMJYJOITP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2S/c1-12-10-17(18-11-21-15(4)19-18)14(3)20(12)13(2)16-8-6-5-7-9-16/h5-11,13H,1-4H3/t13-/m1/s1.
What are the key properties of 4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-methyl-1,3-thiazole?
4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-methyl-1,3-thiazole has a molecular weight of 296.44 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 8878480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).