[(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone

C16H21N3OS — CID 124737688

IUPAC[(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone
SMILESCCC(C)(C)[C@@H]1CCCN1C(=O)c1nc2cccnc2s1
InChIInChI=1S/C16H21N3OS/c1-4-16(2,3)12-8-6-10-19(12)15(20)14-18-11-7-5-9-17-13(11)21-14/h5,7,9,12H,4,6,8,10H2,1-3H3/t12-/m0/s1
InChIKeyPYCGRCZEUFHBDK-LBPRGKRZSA-N
MW303.43 g/mol
LogP3.73
Rot. Bonds3

About [(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone

[(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone (PubChem CID 124737688) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is [(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone
PubChem CID124737688
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name[(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone
SMILESCCC(C)(C)[C@@H]1CCCN1C(=O)c1nc2cccnc2s1
InChIInChI=1S/C16H21N3OS/c1-4-16(2,3)12-8-6-10-19(12)15(20)14-18-11-7-5-9-17-13(11)21-14/h5,7,9,12H,4,6,8,10H2,1-3H3/t12-/m0/s1
InChIKeyPYCGRCZEUFHBDK-LBPRGKRZSA-N
XLogP3.73
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)piperidin-2-yl]methyl]acetamide
CID 154780110
[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone
CID 136587450
2-[1-(3-ethylpyridine-2-carbonyl)pyrrolidin-2-yl]-2-methylpropanoic acid
CID 166317615
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
CID 126800848
ethyl (2R)-1-(1,3-benzothiazole-2-carbonyl)pyrrolidine-2-carboxylate
CID 122143740
cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 53084442
2-[cyclopropyl([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]propanoic acid
CID 122067493
(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535775
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone
CID 20952135
ethyl 2-ethyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)butanoate
CID 79471397
(3S)-N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 92708784
N-[2-(diethylamino)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 20952150

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone?
The IUPAC name of [(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone (CID 124737688) is [(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone.
What is the SMILES notation for [(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone?
The canonical SMILES for [(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone is CCC(C)(C)[C@@H]1CCCN1C(=O)c1nc2cccnc2s1.
What is the InChIKey of [(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone?
The InChIKey is PYCGRCZEUFHBDK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-16(2,3)12-8-6-10-19(12)15(20)14-18-11-7-5-9-17-13(11)21-14/h5,7,9,12H,4,6,8,10H2,1-3H3/t12-/m0/s1.
What are the key properties of [(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone?
[(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone has a molecular weight of 303.43 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone is sourced from PubChem (CID 124737688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).