(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]methanone

C18H20N4OS — CID 121193939

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(n3c(C)nc4ccccc43)C2)s1
InChIInChI=1S/C18H20N4OS/c1-11-17(24-13(3)19-11)18(23)21-9-8-14(10-21)22-12(2)20-15-6-4-5-7-16(15)22/h4-7,14H,8-10H2,1-3H3
InChIKeyHSXRKQGEWRDJOT-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.51
Rot. Bonds2

About (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]methanone (PubChem CID 121193939) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]methanone
PubChem CID121193939
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(n3c(C)nc4ccccc43)C2)s1
InChIInChI=1S/C18H20N4OS/c1-11-17(24-13(3)19-11)18(23)21-9-8-14(10-21)22-12(2)20-15-6-4-5-7-16(15)22/h4-7,14H,8-10H2,1-3H3
InChIKeyHSXRKQGEWRDJOT-UHFFFAOYSA-N
XLogP3.51
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethyl-1,3-thiazol-5-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581415
[(3R)-3-aminopyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 103805034
3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 121021849
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 121017119
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-yl]-3-hydroxypiperidin-1-yl]methanone
CID 25276578
[4-(2-methylbenzimidazol-1-yl)phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 24896761
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126891681
[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 133128302
5-[2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 155952808
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100621693
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 91905845

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]methanone (CID 121193939) is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCC(n3c(C)nc4ccccc43)C2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]methanone?
The InChIKey is HSXRKQGEWRDJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-11-17(24-13(3)19-11)18(23)21-9-8-14(10-21)22-12(2)20-15-6-4-5-7-16(15)22/h4-7,14H,8-10H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]methanone has a molecular weight of 340.45 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121193939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).