[3-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentyl] formate

C17H14FN3O3S — CID 87301363

IUPAC[3-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentyl] formate
SMILESN#Cc1sc(NC(=O)C2CCC(OC=O)C2)nc1-c1cccc(F)c1
InChIInChI=1S/C17H14FN3O3S/c18-12-3-1-2-10(6-12)15-14(8-19)25-17(20-15)21-16(23)11-4-5-13(7-11)24-9-22/h1-3,6,9,11,13H,4-5,7H2,(H,20,21,23)
InChIKeyQTIBHCTWNYVDND-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.10
Rot. Bonds5

About [3-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentyl] formate

[3-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentyl] formate (PubChem CID 87301363) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is [3-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentyl] formate.

Molecular Properties

Compound Name[3-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentyl] formate
PubChem CID87301363
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC Name[3-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentyl] formate
SMILESN#Cc1sc(NC(=O)C2CCC(OC=O)C2)nc1-c1cccc(F)c1
InChIInChI=1S/C17H14FN3O3S/c18-12-3-1-2-10(6-12)15-14(8-19)25-17(20-15)21-16(23)11-4-5-13(7-11)24-9-22/h1-3,6,9,11,13H,4-5,7H2,(H,20,21,23)
InChIKeyQTIBHCTWNYVDND-UHFFFAOYSA-N
XLogP3.10
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[4-[[5-cyano-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamoyl]cyclohexyl] formate
CID 87301577
trans-(1R,3R)-3-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 25261417
4-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 25262487
cis-(1R,3S)-3-[[4-(3-chlorophenyl)-5-cyano-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 25261581
N-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 87301470
cis-(1S,3R)-3-[[5-cyano-4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 87301665
cis-(1R,3S)-3-[(5-cyano-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid;N-ethylethanamine
CID 146305588
5-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 25262202
cis-(1R,3S)-3-[[5-cyano-4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 87301591
2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 83535265
cis-(1R,2S)-2-[(5-cyano-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 25260781
2-amino-4-phenyl-1,3-thiazole-5-carbonitrile;5-[(5-cyano-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1,3-dicarboxylic acid;cyclohexane-1,3,5-tricarbonyl chloride
CID 162083470

Frequently Asked Questions

What is the IUPAC name of [3-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentyl] formate?
The IUPAC name of [3-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentyl] formate (CID 87301363) is [3-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentyl] formate.
What is the SMILES notation for [3-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentyl] formate?
The canonical SMILES for [3-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentyl] formate is N#Cc1sc(NC(=O)C2CCC(OC=O)C2)nc1-c1cccc(F)c1.
What is the InChIKey of [3-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentyl] formate?
The InChIKey is QTIBHCTWNYVDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c18-12-3-1-2-10(6-12)15-14(8-19)25-17(20-15)21-16(23)11-4-5-13(7-11)24-9-22/h1-3,6,9,11,13H,4-5,7H2,(H,20,21,23).
What are the key properties of [3-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentyl] formate?
[3-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentyl] formate has a molecular weight of 359.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-cyano-4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentyl] formate is sourced from PubChem (CID 87301363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).