N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

C18H21FN4OS — CID 71601552

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc2c(s1)CCC2
InChIInChI=1S/C18H21FN4OS/c19-13-4-6-14(7-5-13)23-10-8-22(9-11-23)12-17(24)21-18-20-15-2-1-3-16(15)25-18/h4-7H,1-3,8-12H2,(H,20,21,24)
InChIKeyCVIGNRZDELXSSV-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.53
Rot. Bonds4

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 71601552) has the molecular formula C18H21FN4OS and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID71601552
Molecular FormulaC18H21FN4OS
Molecular Weight360.46 g/mol
Exact Mass360.14
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc2c(s1)CCC2
InChIInChI=1S/C18H21FN4OS/c19-13-4-6-14(7-5-13)23-10-8-22(9-11-23)12-17(24)21-18-20-15-2-1-3-16(15)25-18/h4-7H,1-3,8-12H2,(H,20,21,24)
InChIKeyCVIGNRZDELXSSV-UHFFFAOYSA-N
XLogP2.53
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (CID 71601552) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is CVIGNRZDELXSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4OS/c19-13-4-6-14(7-5-13)23-10-8-22(9-11-23)12-17(24)21-18-20-15-2-1-3-16(15)25-18/h4-7H,1-3,8-12H2,(H,20,21,24).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 360.46 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 71601552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).