2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid

C16H18N2O2S — CID 61370722

IUPAC2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C16H18N2O2S/c19-15(20)9-14-7-4-8-18(14)10-13-11-21-16(17-13)12-5-2-1-3-6-12/h1-3,5-6,11,14H,4,7-10H2,(H,19,20)
InChIKeyAPNISAFMNBUMSN-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.25
Rot. Bonds5

About 2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid

2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61370722) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid
PubChem CID61370722
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C16H18N2O2S/c19-15(20)9-14-7-4-8-18(14)10-13-11-21-16(17-13)12-5-2-1-3-6-12/h1-3,5-6,11,14H,4,7-10H2,(H,19,20)
InChIKeyAPNISAFMNBUMSN-UHFFFAOYSA-N
XLogP3.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 154828970
(2R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 94014669
3-amino-N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911461
2-[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]acetic acid
CID 61372120
[(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62734410
2-[2-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 82032241
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 95322878
4-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 60973649
phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 16605883
(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119913874
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 64783454

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid (CID 61370722) is 2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1Cc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is APNISAFMNBUMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-15(20)9-14-7-4-8-18(14)10-13-11-21-16(17-13)12-5-2-1-3-6-12/h1-3,5-6,11,14H,4,7-10H2,(H,19,20).
What are the key properties of 2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 302.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).