4-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

C14H16ClN3O2S — CID 119686453

IUPAC4-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2nccs2)cc1)C1CC(O)CN1
InChIInChI=1S/C14H15N3O2S.ClH/c18-11-7-12(16-8-11)13(19)17-10-3-1-9(2-4-10)14-15-5-6-20-14;/h1-6,11-12,16,18H,7-8H2,(H,17,19);1H
InChIKeyZRLPVJXTDMXBGC-UHFFFAOYSA-N
MW325.82 g/mol
LogP1.89
Rot. Bonds3

About 4-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

4-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119686453) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 4-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119686453
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name4-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2nccs2)cc1)C1CC(O)CN1
InChIInChI=1S/C14H15N3O2S.ClH/c18-11-7-12(16-8-11)13(19)17-10-3-1-9(2-4-10)14-15-5-6-20-14;/h1-6,11-12,16,18H,7-8H2,(H,17,19);1H
InChIKeyZRLPVJXTDMXBGC-UHFFFAOYSA-N
XLogP1.89
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119269600
4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119759345
(2R,4S)-4-hydroxy-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 28943404
4-hydroxy-N-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 119871848
N-[4-(carbamoylamino)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43711133
3-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
CID 63044488
3-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 75502898
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
CID 64822199
(2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 93044428
N-[4-(cyclopropylcarbamoyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119698538
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119871140
4-hydroxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119702405

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119686453) is 4-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(-c2nccs2)cc1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ZRLPVJXTDMXBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S.ClH/c18-11-7-12(16-8-11)13(19)17-10-3-1-9(2-4-10)14-15-5-6-20-14;/h1-6,11-12,16,18H,7-8H2,(H,17,19);1H.
What are the key properties of 4-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
4-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 325.82 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119686453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).