2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole

C18H20FN5S2 — CID 133451709

IUPAC2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole
SMILESCc1nc(N2CCN(c3nnc(Cc4ccccc4F)s3)CC2)sc1C
InChIInChI=1S/C18H20FN5S2/c1-12-13(2)25-17(20-12)23-7-9-24(10-8-23)18-22-21-16(26-18)11-14-5-3-4-6-15(14)19/h3-6H,7-11H2,1-2H3
InChIKeyIQAOZZQLEJYTIT-UHFFFAOYSA-N
MW389.53 g/mol
LogP3.67
Rot. Bonds4

About 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole

2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole (PubChem CID 133451709) has the molecular formula C18H20FN5S2 and a molecular weight of 389.53 g/mol. Its IUPAC name is 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole
PubChem CID133451709
Molecular FormulaC18H20FN5S2
Molecular Weight389.53 g/mol
Exact Mass389.11
IUPAC Name2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole
SMILESCc1nc(N2CCN(c3nnc(Cc4ccccc4F)s3)CC2)sc1C
InChIInChI=1S/C18H20FN5S2/c1-12-13(2)25-17(20-12)23-7-9-24(10-8-23)18-22-21-16(26-18)11-14-5-3-4-6-15(14)19/h3-6H,7-11H2,1-2H3
InChIKeyIQAOZZQLEJYTIT-UHFFFAOYSA-N
XLogP3.67
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclopropyl-3-[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-1,2,4-oxadiazole
CID 133475120
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 122160087
[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133451401
4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 171335410
4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole
CID 133391264
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-N-methylpropan-2-amine
CID 114832552
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 109378461
4,5-dimethyl-2-(4-quinazolin-4-ylpiperazin-1-yl)-1,3-thiazole
CID 133391255
2-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-N-methylbenzenesulfonamide
CID 133457533
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole
CID 133465792
2-[(4-fluorophenyl)methyl]-5-[4-(2-phenylethyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 133466280
2-(2-chlorophenyl)-1-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
CID 133456853

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole (CID 133451709) is 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole is Cc1nc(N2CCN(c3nnc(Cc4ccccc4F)s3)CC2)sc1C.
What is the InChIKey of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole?
The InChIKey is IQAOZZQLEJYTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5S2/c1-12-13(2)25-17(20-12)23-7-9-24(10-8-23)18-22-21-16(26-18)11-14-5-3-4-6-15(14)19/h3-6H,7-11H2,1-2H3.
What are the key properties of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole?
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole has a molecular weight of 389.53 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 133451709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).