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

C15H17N3O2S — CID 111754825

IUPAC(3R)-3-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1csc(-c2cccc(NC(=O)N3CC[C@@H](O)C3)c2)n1
InChIInChI=1S/C15H17N3O2S/c1-10-9-21-14(16-10)11-3-2-4-12(7-11)17-15(20)18-6-5-13(19)8-18/h2-4,7,9,13,19H,5-6,8H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeyVRLPUVRGSMWOFD-CYBMUJFWSA-N
MW303.39 g/mol
LogP2.72
Rot. Bonds2

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

(3R)-3-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 111754825) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID111754825
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name(3R)-3-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1csc(-c2cccc(NC(=O)N3CC[C@@H](O)C3)c2)n1
InChIInChI=1S/C15H17N3O2S/c1-10-9-21-14(16-10)11-3-2-4-12(7-11)17-15(20)18-6-5-13(19)8-18/h2-4,7,9,13,19H,5-6,8H2,1H3,(H,17,20)/t13-/m1/s1
InChIKeyVRLPUVRGSMWOFD-CYBMUJFWSA-N
XLogP2.72
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 111439387
(3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide
CID 118767375
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
(3S)-3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-1-carboxamide
CID 111431157
N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-azaspiro[2.3]hexane-2-carboxamide
CID 172895967
1-[2-(hydroxymethyl)cyclohexyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea
CID 111636920
N-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 156609246
trans-(1R,3R)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(prop-2-enoylamino)cyclopentane-1-carboxamide
CID 172890029
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-3-carboxamide
CID 120929303
1-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 56823567
(2R,3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120929298

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide (CID 111754825) is (3R)-3-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide is Cc1csc(-c2cccc(NC(=O)N3CC[C@@H](O)C3)c2)n1.
What is the InChIKey of (3R)-3-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is VRLPUVRGSMWOFD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-9-21-14(16-10)11-3-2-4-12(7-11)17-15(20)18-6-5-13(19)8-18/h2-4,7,9,13,19H,5-6,8H2,1H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide?
(3R)-3-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111754825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).