N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide

C15H15N5OS — CID 136587523

IUPACN-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1n1ccnc1)c1nc2cnccc2s1
InChIInChI=1S/C15H15N5OS/c21-14(15-19-11-8-16-5-4-13(11)22-15)18-10-2-1-3-12(10)20-7-6-17-9-20/h4-10,12H,1-3H2,(H,18,21)/t10-,12+/m1/s1
InChIKeyLBQKZSALMLZGOT-PWSUYJOCSA-N
MW313.39 g/mol
LogP2.41
Rot. Bonds3

About N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide

N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide (PubChem CID 136587523) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
PubChem CID136587523
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1n1ccnc1)c1nc2cnccc2s1
InChIInChI=1S/C15H15N5OS/c21-14(15-19-11-8-16-5-4-13(11)22-15)18-10-2-1-3-12(10)20-7-6-17-9-20/h4-10,12H,1-3H2,(H,18,21)/t10-,12+/m1/s1
InChIKeyLBQKZSALMLZGOT-PWSUYJOCSA-N
XLogP2.41
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide (CID 136587523) is N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide is O=C(N[C@@H]1CCC[C@@H]1n1ccnc1)c1nc2cnccc2s1.
What is the InChIKey of N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
The InChIKey is LBQKZSALMLZGOT-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H15N5OS/c21-14(15-19-11-8-16-5-4-13(11)22-15)18-10-2-1-3-12(10)20-7-6-17-9-20/h4-10,12H,1-3H2,(H,18,21)/t10-,12+/m1/s1.
What are the key properties of N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 136587523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).