4-methyl-5-[4-[[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole

C17H19N5S — CID 136553474

IUPAC4-methyl-5-[4-[[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole
SMILESCc1ncsc1-c1ccc(CN2CCC(n3cncn3)C2)cc1
InChIInChI=1S/C17H19N5S/c1-13-17(23-12-19-13)15-4-2-14(3-5-15)8-21-7-6-16(9-21)22-11-18-10-20-22/h2-5,10-12,16H,6-9H2,1H3
InChIKeyXNCJKJWWCRGKEP-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.16
Rot. Bonds4

About 4-methyl-5-[4-[[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole

4-methyl-5-[4-[[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole (PubChem CID 136553474) has the molecular formula C17H19N5S and a molecular weight of 325.44 g/mol. Its IUPAC name is 4-methyl-5-[4-[[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[4-[[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole
PubChem CID136553474
Molecular FormulaC17H19N5S
Molecular Weight325.44 g/mol
Exact Mass325.14
IUPAC Name4-methyl-5-[4-[[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole
SMILESCc1ncsc1-c1ccc(CN2CCC(n3cncn3)C2)cc1
InChIInChI=1S/C17H19N5S/c1-13-17(23-12-19-13)15-4-2-14(3-5-15)8-21-7-6-16(9-21)22-11-18-10-20-22/h2-5,10-12,16H,6-9H2,1H3
InChIKeyXNCJKJWWCRGKEP-UHFFFAOYSA-N
XLogP3.16
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-5-[4-[[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole with MolForge

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Related Compounds

(3R)-1-[(3,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 124614437
4,4-dimethyl-1-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidin-3-ol
CID 139020668
(4aS,7aR)-4-methyl-6-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 136583893
1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4-(1,2,4-triazol-1-yl)piperidine
CID 99829138
3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine
CID 126784882
N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 155154777
1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine
CID 130775574
1-[(2,3-dichlorophenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 122138465
5-cyclopropyl-1-phenyl-4-[[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]methyl]triazole
CID 167919367
ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577
1-[(1-cyclopropylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 136568371
2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 126946539

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[4-[[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[4-[[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole (CID 136553474) is 4-methyl-5-[4-[[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[4-[[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[4-[[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole is Cc1ncsc1-c1ccc(CN2CCC(n3cncn3)C2)cc1.
What is the InChIKey of 4-methyl-5-[4-[[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole?
The InChIKey is XNCJKJWWCRGKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5S/c1-13-17(23-12-19-13)15-4-2-14(3-5-15)8-21-7-6-16(9-21)22-11-18-10-20-22/h2-5,10-12,16H,6-9H2,1H3.
What are the key properties of 4-methyl-5-[4-[[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole?
4-methyl-5-[4-[[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole has a molecular weight of 325.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[4-[[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 136553474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).