N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

C14H13F2N3OS — CID 97052502

IUPACN-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@H]1CCN(c2c(F)cccc2F)C1)c1cscn1
InChIInChI=1S/C14H13F2N3OS/c15-10-2-1-3-11(16)13(10)19-5-4-9(6-19)18-14(20)12-7-21-8-17-12/h1-3,7-9H,4-6H2,(H,18,20)/t9-/m0/s1
InChIKeyUVUGYZIAEHXWCT-VIFPVBQESA-N
MW309.34 g/mol
LogP2.43
Rot. Bonds3

About N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 97052502) has the molecular formula C14H13F2N3OS and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID97052502
Molecular FormulaC14H13F2N3OS
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC NameN-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@H]1CCN(c2c(F)cccc2F)C1)c1cscn1
InChIInChI=1S/C14H13F2N3OS/c15-10-2-1-3-11(16)13(10)19-5-4-9(6-19)18-14(20)12-7-21-8-17-12/h1-3,7-9H,4-6H2,(H,18,20)/t9-/m0/s1
InChIKeyUVUGYZIAEHXWCT-VIFPVBQESA-N
XLogP2.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 97052488
N-(1-cyclopentylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 110462193
(2R)-2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]propanamide;dihydrochloride
CID 119899434
N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 63235597
2-(3-acetamidopyrrolidin-1-yl)-3-fluorobenzoic acid
CID 113402378
N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 71921793
N-[(3R)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 97055401
N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide
CID 128967028
N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23113297
3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide
CID 119899423
1-[(3R)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 100643274
2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide
CID 120670573

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (CID 97052502) is N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)c1cscn1.
What is the InChIKey of N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is UVUGYZIAEHXWCT-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13F2N3OS/c15-10-2-1-3-11(16)13(10)19-5-4-9(6-19)18-14(20)12-7-21-8-17-12/h1-3,7-9H,4-6H2,(H,18,20)/t9-/m0/s1.
What are the key properties of N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97052502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).