N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C17H20N4OS — CID 94694926

IUPACN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccnc2)n1)N[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C17H20N4OS/c22-16(19-13-5-7-21(10-13)15-3-4-15)8-14-11-23-17(20-14)12-2-1-6-18-9-12/h1-2,6,9,11,13,15H,3-5,7-8,10H2,(H,19,22)/t13-/m0/s1
InChIKeyFZOHJIFSTZIDFP-ZDUSSCGKSA-N
MW328.44 g/mol
LogP2.10
Rot. Bonds5

About N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 94694926) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID94694926
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2cccnc2)n1)N[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C17H20N4OS/c22-16(19-13-5-7-21(10-13)15-3-4-15)8-14-11-23-17(20-14)12-2-1-6-18-9-12/h1-2,6,9,11,13,15H,3-5,7-8,10H2,(H,19,22)/t13-/m0/s1
InChIKeyFZOHJIFSTZIDFP-ZDUSSCGKSA-N
XLogP2.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 94694925
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95142510
N-(2-methylpiperidin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 120601114
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
N-[2-(methylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 119502386
N-(2-acetamidoethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084427
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylbutyl)acetamide
CID 39084461
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119540676
N-naphthalen-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204706
N-(2-iodophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386459
N-(1-benzylpiperidin-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55655382
N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39080979

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 94694926) is N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2cccnc2)n1)N[C@H]1CCN(C2CC2)C1.
What is the InChIKey of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is FZOHJIFSTZIDFP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N4OS/c22-16(19-13-5-7-21(10-13)15-3-4-15)8-14-11-23-17(20-14)12-2-1-6-18-9-12/h1-2,6,9,11,13,15H,3-5,7-8,10H2,(H,19,22)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 328.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 94694926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).