N-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide

C19H23N3O2S — CID 125442665

IUPACN-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3cnc(C(C)C)s3)cc2)C1
InChIInChI=1S/C19H23N3O2S/c1-12(2)18-20-10-17(25-18)14-4-6-15(7-5-14)19(24)22-9-8-16(11-22)21-13(3)23/h4-7,10,12,16H,8-9,11H2,1-3H3,(H,21,23)/t16-/m1/s1
InChIKeyCPIQZQXWYVHFHJ-MRXNPFEDSA-N
MW357.48 g/mol
LogP3.28
Rot. Bonds4

About N-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide

N-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide (PubChem CID 125442665) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide
PubChem CID125442665
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3cnc(C(C)C)s3)cc2)C1
InChIInChI=1S/C19H23N3O2S/c1-12(2)18-20-10-17(25-18)14-4-6-15(7-5-14)19(24)22-9-8-16(11-22)21-13(3)23/h4-7,10,12,16H,8-9,11H2,1-3H3,(H,21,23)/t16-/m1/s1
InChIKeyCPIQZQXWYVHFHJ-MRXNPFEDSA-N
XLogP3.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide
CID 126424676
6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 126446174
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 49348928
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide
CID 118773574
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606
N-[1-(4-pyrimidin-5-ylbenzoyl)piperidin-4-yl]acetamide
CID 134803759
N-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051605
N-[(3R)-1-[4-[4-(ethylamino)pyrimidin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide
CID 126429780
1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea
CID 53016498
1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051733
N-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide
CID 125445185

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide (CID 125442665) is N-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3cnc(C(C)C)s3)cc2)C1.
What is the InChIKey of N-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide?
The InChIKey is CPIQZQXWYVHFHJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-12(2)18-20-10-17(25-18)14-4-6-15(7-5-14)19(24)22-9-8-16(11-22)21-13(3)23/h4-7,10,12,16H,8-9,11H2,1-3H3,(H,21,23)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide?
N-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide has a molecular weight of 357.48 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)benzoyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 125442665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).