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

C15H18ClN3O2S — CID 119759345

IUPAC4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1csc(-c2ccc(NC(=O)C3CC(O)CN3)cc2)n1.Cl
InChIInChI=1S/C15H17N3O2S.ClH/c1-9-8-21-15(17-9)10-2-4-11(5-3-10)18-14(20)13-6-12(19)7-16-13;/h2-5,8,12-13,16,19H,6-7H2,1H3,(H,18,20);1H
InChIKeyYXJCCBFGNPFNKC-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.20
Rot. Bonds3

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

4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119759345) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119759345
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1csc(-c2ccc(NC(=O)C3CC(O)CN3)cc2)n1.Cl
InChIInChI=1S/C15H17N3O2S.ClH/c1-9-8-21-15(17-9)10-2-4-11(5-3-10)18-14(20)13-6-12(19)7-16-13;/h2-5,8,12-13,16,19H,6-7H2,1H3,(H,18,20);1H
InChIKeyYXJCCBFGNPFNKC-UHFFFAOYSA-N
XLogP2.20
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119686453
N-[4-(carbamoylamino)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43711133
4-hydroxy-N-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 119871848
N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119759367
N-[4-(cyclopropylcarbamoyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119698538
N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 119686515
N-[4-(cyclopropylcarbamoyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43703990
N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119741335
4-hydroxy-N-[4-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 119742872
trans-(1R,2R)-2-methyl-N-[3-[4-(4-methyl-1,3-thiazol-2-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 95274751
(2R,4R)-4-hydroxy-N-(4-nitrophenyl)pyrrolidine-2-carboxamide
CID 93044428
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119871140

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119759345) is 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1csc(-c2ccc(NC(=O)C3CC(O)CN3)cc2)n1.Cl.
What is the InChIKey of 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is YXJCCBFGNPFNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S.ClH/c1-9-8-21-15(17-9)10-2-4-11(5-3-10)18-14(20)13-6-12(19)7-16-13;/h2-5,8,12-13,16,19H,6-7H2,1H3,(H,18,20);1H.
What are the key properties of 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 339.85 g/mol, XLogP of 2.20, 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-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119759345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).