(2S)-1-butanoyl-N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidine-2-carboxamide

C15H17ClN4O2S — CID 124740351

IUPAC(2S)-1-butanoyl-N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCC[C@H]1C(=O)Nc1nc2ccc(Cl)nc2s1
InChIInChI=1S/C15H17ClN4O2S/c1-2-4-12(21)20-8-3-5-10(20)13(22)19-15-17-9-6-7-11(16)18-14(9)23-15/h6-7,10H,2-5,8H2,1H3,(H,17,19,22)/t10-/m0/s1
InChIKeyUQXCZWRIMYNKPK-JTQLQIEISA-N
MW352.85 g/mol
LogP3.07
Rot. Bonds4

About (2S)-1-butanoyl-N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidine-2-carboxamide

(2S)-1-butanoyl-N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 124740351) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is (2S)-1-butanoyl-N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-butanoyl-N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidine-2-carboxamide
PubChem CID124740351
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC Name(2S)-1-butanoyl-N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCC[C@H]1C(=O)Nc1nc2ccc(Cl)nc2s1
InChIInChI=1S/C15H17ClN4O2S/c1-2-4-12(21)20-8-3-5-10(20)13(22)19-15-17-9-6-7-11(16)18-14(9)23-15/h6-7,10H,2-5,8H2,1H3,(H,17,19,22)/t10-/m0/s1
InChIKeyUQXCZWRIMYNKPK-JTQLQIEISA-N
XLogP3.07
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-1-butanoylpyrrolidine-2-carboxamide
CID 112845098
(2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 52505416
(2S)-1-(3-aminopropanoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 134235943
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
(2S)-N-(2-chloroquinolin-6-yl)-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 123233355
(2S)-1-(3-aminopropanoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 134235951
1-butanoyl-N-isoquinolin-1-ylpyrrolidine-2-carboxamide
CID 126824073
N-(1,3-benzothiazol-2-yl)-1-[3-(2-methylphenyl)propanoyl]pyrrolidine-2-carboxamide
CID 86888811
N-(6-butyl-1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55630197
N-(1,3-benzothiazol-2-yl)-1-[4-(4-methylphenyl)-4-oxobutanoyl]pyrrolidine-2-carboxamide
CID 86945128
1-butanoyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 60546506
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939

Frequently Asked Questions

What is the IUPAC name of (2S)-1-butanoyl-N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-butanoyl-N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidine-2-carboxamide (CID 124740351) is (2S)-1-butanoyl-N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-butanoyl-N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-butanoyl-N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidine-2-carboxamide is CCCC(=O)N1CCC[C@H]1C(=O)Nc1nc2ccc(Cl)nc2s1.
What is the InChIKey of (2S)-1-butanoyl-N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is UQXCZWRIMYNKPK-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c1-2-4-12(21)20-8-3-5-10(20)13(22)19-15-17-9-6-7-11(16)18-14(9)23-15/h6-7,10H,2-5,8H2,1H3,(H,17,19,22)/t10-/m0/s1.
What are the key properties of (2S)-1-butanoyl-N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidine-2-carboxamide?
(2S)-1-butanoyl-N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 352.85 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-butanoyl-N-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 124740351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).