N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-pyrrolidin-1-ylpropanamide

C16H18FN3OS — CID 56794468

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)Nc1scnc1-c1ccc(F)cc1
InChIInChI=1S/C16H18FN3OS/c17-13-5-3-12(4-6-13)15-16(22-11-18-15)19-14(21)7-10-20-8-1-2-9-20/h3-6,11H,1-2,7-10H2,(H,19,21)
InChIKeyRNKYBHIHNTTWSD-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.37
Rot. Bonds5

About N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-pyrrolidin-1-ylpropanamide

N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 56794468) has the molecular formula C16H18FN3OS and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-pyrrolidin-1-ylpropanamide
PubChem CID56794468
Molecular FormulaC16H18FN3OS
Molecular Weight319.40 g/mol
Exact Mass319.12
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)Nc1scnc1-c1ccc(F)cc1
InChIInChI=1S/C16H18FN3OS/c17-13-5-3-12(4-6-13)15-16(22-11-18-15)19-14(21)7-10-20-8-1-2-9-20/h3-6,11H,1-2,7-10H2,(H,19,21)
InChIKeyRNKYBHIHNTTWSD-UHFFFAOYSA-N
XLogP3.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95298412
N-pyridin-2-yl-3-pyrrolidin-1-ylpropanamide
CID 110688245
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991
N-(2,6-dichlorophenyl)-3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019613
3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
1-azabicyclo[2.2.2]octan-4-ylmethyl N-[5-(4-fluorophenyl)-1,3-thiazol-4-yl]carbamate;hydrochloride
CID 162311606
N-[5-(2-chloro-4-fluorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59173983
N-(3-cyanothiophen-2-yl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340948
1-[5-(4-fluorophenyl)furan-2-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride
CID 19760928
5-piperidin-1-yl-N-(4-thiophen-2-ylphenyl)pentanamide
CID 59840354
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 8703871

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-pyrrolidin-1-ylpropanamide (CID 56794468) is N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-pyrrolidin-1-ylpropanamide is O=C(CCN1CCCC1)Nc1scnc1-c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-pyrrolidin-1-ylpropanamide?
The InChIKey is RNKYBHIHNTTWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS/c17-13-5-3-12(4-6-13)15-16(22-11-18-15)19-14(21)7-10-20-8-1-2-9-20/h3-6,11H,1-2,7-10H2,(H,19,21).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-pyrrolidin-1-ylpropanamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 319.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 56794468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).