(2R,4R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide

C16H19N3O4S — CID 125134682

IUPAC(2R,4R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H](O)CN3)n2)cc1OC
InChIInChI=1S/C16H19N3O4S/c1-22-13-4-3-9(5-14(13)23-2)12-8-24-16(18-12)19-15(21)11-6-10(20)7-17-11/h3-5,8,10-11,17,20H,6-7H2,1-2H3,(H,18,19,21)/t10-,11-/m1/s1
InChIKeyGPGYITHZCOPSDH-GHMZBOCLSA-N
MW349.41 g/mol
LogP1.49
Rot. Bonds5

About (2R,4R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide

(2R,4R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 125134682) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is (2R,4R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID125134682
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name(2R,4R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H](O)CN3)n2)cc1OC
InChIInChI=1S/C16H19N3O4S/c1-22-13-4-3-9(5-14(13)23-2)12-8-24-16(18-12)19-15(21)11-6-10(20)7-17-11/h3-5,8,10-11,17,20H,6-7H2,1-2H3,(H,18,19,21)/t10-,11-/m1/s1
InChIKeyGPGYITHZCOPSDH-GHMZBOCLSA-N
XLogP1.49
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119264448
4-hydroxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 119677969
N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 119686515
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 43405521
2-(cyclopropylmethylamino)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676830
(1R,2R,4S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxamide
CID 124818509
4-acetyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 2321966
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 112794584
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51230019
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5005400
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 92944336

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide (CID 125134682) is (2R,4R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide is COc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H](O)CN3)n2)cc1OC.
What is the InChIKey of (2R,4R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is GPGYITHZCOPSDH-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-22-13-4-3-9(5-14(13)23-2)12-8-24-16(18-12)19-15(21)11-6-10(20)7-17-11/h3-5,8,10-11,17,20H,6-7H2,1-2H3,(H,18,19,21)/t10-,11-/m1/s1.
What are the key properties of (2R,4R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
(2R,4R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 125134682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).