(4-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone

C14H15FN4OS — CID 108753221

IUPAC(4-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C14H15FN4OS/c1-10-16-17-14(21-10)19-8-6-18(7-9-19)13(20)11-2-4-12(15)5-3-11/h2-5H,6-9H2,1H3
InChIKeyYSEMULWKVZVZIN-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.95
Rot. Bonds2

About (4-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone

(4-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 108753221) has the molecular formula C14H15FN4OS and a molecular weight of 306.37 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
PubChem CID108753221
Molecular FormulaC14H15FN4OS
Molecular Weight306.37 g/mol
Exact Mass306.10
IUPAC Name(4-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C14H15FN4OS/c1-10-16-17-14(21-10)19-8-6-18(7-9-19)13(20)11-2-4-12(15)5-3-11/h2-5H,6-9H2,1H3
InChIKeyYSEMULWKVZVZIN-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 108753220
(4-hexoxyphenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 108753270
5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 108809003
(3-chloro-6-fluoro-1-benzothiophen-2-yl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 166335819
[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 136528222
(4-chloro-3-nitrophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 108729477
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 133333010
2,2,2-trifluoro-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone
CID 108753212
2,2-dimethyl-6-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-3H-chromen-4-one
CID 108729575
3-bromo-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 108729598
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 7539121
(4-chloro-1-methylpyrrol-2-yl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 167803703

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone (CID 108753221) is (4-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone is Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)s1.
What is the InChIKey of (4-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is YSEMULWKVZVZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4OS/c1-10-16-17-14(21-10)19-8-6-18(7-9-19)13(20)11-2-4-12(15)5-3-11/h2-5H,6-9H2,1H3.
What are the key properties of (4-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 306.37 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 108753221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).