4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole

C18H21N3OS — CID 7602094

IUPAC4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole
SMILESCc1cc(-c2csc(N3CCCC3)n2)c(C)n1Cc1ccco1
InChIInChI=1S/C18H21N3OS/c1-13-10-16(14(2)21(13)11-15-6-5-9-22-15)17-12-23-18(19-17)20-7-3-4-8-20/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3
InChIKeyKXNZBDYWIVOPSU-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.47
Rot. Bonds4

About 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole

4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 7602094) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole
PubChem CID7602094
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole
SMILESCc1cc(-c2csc(N3CCCC3)n2)c(C)n1Cc1ccco1
InChIInChI=1S/C18H21N3OS/c1-13-10-16(14(2)21(13)11-15-6-5-9-22-15)17-12-23-18(19-17)20-7-3-4-8-20/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3
InChIKeyKXNZBDYWIVOPSU-UHFFFAOYSA-N
XLogP4.47
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-yl-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-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole
CID 2446360
4-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 4785495
N-(2,4-dimethylphenyl)-2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
CID 9399915
4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole
CID 9268073
3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole
CID 7602102
4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 7529140
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 24631708
4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 8963955
2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol
CID 15984509
2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
CID 9174025
3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]thiolane 1,1-dioxide
CID 17486482
4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine
CID 17443525

Frequently Asked Questions

What is the IUPAC name of 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole (CID 7602094) is 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole is Cc1cc(-c2csc(N3CCCC3)n2)c(C)n1Cc1ccco1.
What is the InChIKey of 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is KXNZBDYWIVOPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-13-10-16(14(2)21(13)11-15-6-5-9-22-15)17-12-23-18(19-17)20-7-3-4-8-20/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3.
What are the key properties of 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole?
4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 327.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 7602094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).