N-[5-(4-chloroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-cyclopentylpropanamide

C20H21ClN4OS — CID 11625503

IUPACN-[5-(4-chloroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)Nc1nc2ccc(Nc3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C20H21ClN4OS/c21-14-6-8-15(9-7-14)22-17-11-10-16-19(24-17)27-20(23-16)25-18(26)12-5-13-3-1-2-4-13/h6-11,13H,1-5,12H2,(H,22,24)(H,23,25,26)
InChIKeyJMYTYPCTLIFDKC-UHFFFAOYSA-N
MW400.94 g/mol
LogP6.00
Rot. Bonds6

About N-[5-(4-chloroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-cyclopentylpropanamide

N-[5-(4-chloroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-cyclopentylpropanamide (PubChem CID 11625503) has the molecular formula C20H21ClN4OS and a molecular weight of 400.94 g/mol. Its IUPAC name is N-[5-(4-chloroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[5-(4-chloroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-cyclopentylpropanamide
PubChem CID11625503
Molecular FormulaC20H21ClN4OS
Molecular Weight400.94 g/mol
Exact Mass400.11
IUPAC NameN-[5-(4-chloroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)Nc1nc2ccc(Nc3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C20H21ClN4OS/c21-14-6-8-15(9-7-14)22-17-11-10-16-19(24-17)27-20(23-16)25-18(26)12-5-13-3-1-2-4-13/h6-11,13H,1-5,12H2,(H,22,24)(H,23,25,26)
InChIKeyJMYTYPCTLIFDKC-UHFFFAOYSA-N
XLogP6.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.94
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chloroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-cyclopentylpropanamide?
The IUPAC name of N-[5-(4-chloroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-cyclopentylpropanamide (CID 11625503) is N-[5-(4-chloroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[5-(4-chloroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[5-(4-chloroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-cyclopentylpropanamide is O=C(CCC1CCCC1)Nc1nc2ccc(Nc3ccc(Cl)cc3)nc2s1.
What is the InChIKey of N-[5-(4-chloroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-cyclopentylpropanamide?
The InChIKey is JMYTYPCTLIFDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4OS/c21-14-6-8-15(9-7-14)22-17-11-10-16-19(24-17)27-20(23-16)25-18(26)12-5-13-3-1-2-4-13/h6-11,13H,1-5,12H2,(H,22,24)(H,23,25,26).
What are the key properties of N-[5-(4-chloroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-cyclopentylpropanamide?
N-[5-(4-chloroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-cyclopentylpropanamide has a molecular weight of 400.94 g/mol, XLogP of 6.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chloroanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-cyclopentylpropanamide is sourced from PubChem (CID 11625503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).