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

C18H23N3O2S — CID 119686515

IUPACN-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCCCCc1ccc(-c2csc(NC(=O)C3CC(O)CN3)n2)cc1
InChIInChI=1S/C18H23N3O2S/c1-2-3-4-12-5-7-13(8-6-12)16-11-24-18(20-16)21-17(23)15-9-14(22)10-19-15/h5-8,11,14-15,19,22H,2-4,9-10H2,1H3,(H,20,21,23)
InChIKeyGNQSKDZSEOVOIL-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.81
Rot. Bonds6

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

N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 119686515) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID119686515
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCCCCc1ccc(-c2csc(NC(=O)C3CC(O)CN3)n2)cc1
InChIInChI=1S/C18H23N3O2S/c1-2-3-4-12-5-7-13(8-6-12)16-11-24-18(20-16)21-17(23)15-9-14(22)10-19-15/h5-8,11,14-15,19,22H,2-4,9-10H2,1H3,(H,20,21,23)
InChIKeyGNQSKDZSEOVOIL-UHFFFAOYSA-N
XLogP2.81
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 119677969
(2R,4R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 125134682
N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide
CID 119686519
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 119271989
[4-(4-butylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 93188542
(2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide
CID 2369609
cis-(1R,2S)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 2453305
2-[1-[2-[[4-(4-butylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 17349285
4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119759345
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237
(2S,4R)-4-hydroxy-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 125153850
2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 3292314

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide (CID 119686515) is N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide is CCCCc1ccc(-c2csc(NC(=O)C3CC(O)CN3)n2)cc1.
What is the InChIKey of N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is GNQSKDZSEOVOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-3-4-12-5-7-13(8-6-12)16-11-24-18(20-16)21-17(23)15-9-14(22)10-19-15/h5-8,11,14-15,19,22H,2-4,9-10H2,1H3,(H,20,21,23).
What are the key properties of N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 119686515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).