(2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C20H19FN4OS — CID 39115726

IUPAC(2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESNc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccccc3F)CC2)s1
InChIInChI=1S/C20H19FN4OS/c21-15-8-4-5-9-16(15)24-10-12-25(13-11-24)19(26)18-17(23-20(22)27-18)14-6-2-1-3-7-14/h1-9H,10-13H2,(H2,22,23)
InChIKeyLMIOIVNTBKTHQD-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.49
Rot. Bonds3

About (2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 39115726) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is (2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID39115726
Molecular FormulaC20H19FN4OS
Molecular Weight382.46 g/mol
Exact Mass382.13
IUPAC Name(2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESNc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccccc3F)CC2)s1
InChIInChI=1S/C20H19FN4OS/c21-15-8-4-5-9-16(15)24-10-12-25(13-11-24)19(26)18-17(23-20(22)27-18)14-6-2-1-3-7-14/h1-9H,10-13H2,(H2,22,23)
InChIKeyLMIOIVNTBKTHQD-UHFFFAOYSA-N
XLogP3.49
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-amino-4,6-diphenylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 23915429
(2-amino-1,3-oxazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 110854582
(2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 82035056
[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080857
(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3648748
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 42537522
(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 171133137
[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 26584846
(3-amino-8-methylthieno[2,3-b]quinolin-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1442746
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 24638936
[5-amino-3-(2-fluorophenyl)-1,2-oxazol-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 70981942

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 39115726) is (2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is Nc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccccc3F)CC2)s1.
What is the InChIKey of (2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is LMIOIVNTBKTHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4OS/c21-15-8-4-5-9-16(15)24-10-12-25(13-11-24)19(26)18-17(23-20(22)27-18)14-6-2-1-3-7-14/h1-9H,10-13H2,(H2,22,23).
What are the key properties of (2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 382.46 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 39115726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).